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    On 24/01/2011 6:16 PM, mina Madah wrote:

    <blockquote cite="mid:404008.94092.qm@web114212.mail.gq1.yahoo.com"

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                                            font-size: 10pt;">Dear all<br>

                                            <br>

                                            I use charmm27 as a default

                                            for making my force field

                                            file , and now I need .n2t

                                            file while charmm27 don't

                                            have .n2t file .<br>

                                            &nbsp;I use oplsaa as a default

                                            for .n2t file and g_x2top

                                            and could not read this file

                                            . <br>

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    <br>

    That simply won't work. The atom-naming schemes are totally

    different.<br>

    <br>

    Without knowing your overall objective (including why you think

    charmm27 is a good template, and why you think you need to use

    g_x2top), it's hard to say anything more.<br>

    <br>

    Mark<br>

    <br>

    <blockquote cite="mid:404008.94092.qm@web114212.mail.gq1.yahoo.com"

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                                            font-size: 10pt;">&nbsp;this is

                                            my .n2t file&nbsp; :<br>

                                            H&nbsp;&nbsp;&nbsp; HP&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.18&nbsp;&nbsp;

                                            &nbsp;1.0080&nbsp;&nbsp; &nbsp;1&nbsp;&nbsp;&nbsp; C 0.150<br>

                                            H&nbsp;&nbsp;&nbsp; HE2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.12&nbsp;&nbsp;

                                            1.0080&nbsp;&nbsp; &nbsp;1&nbsp;&nbsp;&nbsp; C 0.150&nbsp; &nbsp;<br>

                                            C&nbsp;&nbsp;&nbsp; CPT&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.145&nbsp;&nbsp;

                                            12.011&nbsp;&nbsp; &nbsp;3&nbsp;&nbsp;&nbsp; C 0.150&nbsp;&nbsp; C

                                            0.150&nbsp;&nbsp; C 0.150<br>

                                            C&nbsp;&nbsp;&nbsp; CE2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.145&nbsp;&nbsp;

                                            12.011&nbsp;&nbsp; &nbsp;3&nbsp;&nbsp;&nbsp; H 0.108&nbsp;&nbsp; H

                                            0.108&nbsp;&nbsp; C 0.150<br>

                                            N&nbsp;&nbsp;&nbsp; NAB&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.5&nbsp;&nbsp;&nbsp;

                                            14.0067&nbsp;&nbsp; &nbsp;3&nbsp;&nbsp;&nbsp; H 0.108&nbsp;&nbsp; C

                                            0.150&nbsp;&nbsp; B 0.0<br>

                                            N&nbsp;&nbsp;&nbsp; NAB2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.5&nbsp;&nbsp;&nbsp;

                                            14.0067 3&nbsp;&nbsp;&nbsp; B 0.0&nbsp;&nbsp;&nbsp;&nbsp; C

                                            0.140&nbsp;&nbsp; B 0.0<br>

                                            N&nbsp;&nbsp;&nbsp; NB3&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.5&nbsp;&nbsp;&nbsp;

                                            14.0067 3&nbsp;&nbsp;&nbsp; B 0.0&nbsp;&nbsp;&nbsp;&nbsp; B

                                            0.0&nbsp;&nbsp;&nbsp;&nbsp; B 0.0<br>

                                            N&nbsp;&nbsp;&nbsp; NB2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;

                                            14.0067 3&nbsp;&nbsp;&nbsp; B 0.0&nbsp;&nbsp;&nbsp;&nbsp; B

                                            0.0&nbsp;&nbsp;&nbsp;&nbsp; H 0.108<br>

                                            B&nbsp;&nbsp;&nbsp; BAN&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.5&nbsp;&nbsp;&nbsp;

                                            10.8110 3&nbsp;&nbsp;&nbsp; H 0.108&nbsp;&nbsp; C

                                            0.140&nbsp;&nbsp; N 0.123<br>

                                            B&nbsp;&nbsp;&nbsp; BAN2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.5&nbsp;&nbsp;&nbsp;

                                            10.8110 3&nbsp;&nbsp;&nbsp; N 0.123&nbsp;&nbsp; C

                                            0.132&nbsp;&nbsp; N 0.123<br>

                                            B&nbsp;&nbsp;&nbsp; BN3&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;

                                            10.8110 3&nbsp;&nbsp;&nbsp; N 0.123&nbsp;&nbsp; N

                                            0.123&nbsp;&nbsp; N 0.123<br>

                                            B&nbsp;&nbsp;&nbsp; BN2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.5&nbsp;&nbsp;&nbsp;&nbsp;

                                            10.8110 3&nbsp;&nbsp;&nbsp; B 0.0&nbsp;&nbsp;&nbsp;&nbsp; B

                                            0.0&nbsp;&nbsp;&nbsp;&nbsp; H 0.108<br>

                                            H&nbsp;&nbsp;&nbsp; H1B&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.06&nbsp;&nbsp;&nbsp;

                                            1.0080 &nbsp;&nbsp; &nbsp;1&nbsp;&nbsp;&nbsp; B 0.0<br>

                                            H&nbsp;&nbsp;&nbsp; H2B&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.06&nbsp;&nbsp;&nbsp;

                                            1.0080 &nbsp;&nbsp; &nbsp;1&nbsp;&nbsp;&nbsp; B 0.0<br>

                                            H&nbsp;&nbsp;&nbsp; HCB&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.06&nbsp;&nbsp;&nbsp;

                                            1.008 &nbsp;&nbsp; &nbsp;1&nbsp;&nbsp;&nbsp; C 0.108<br>

                                            H&nbsp;&nbsp;&nbsp; HCN&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.06&nbsp;&nbsp;&nbsp;

                                            1.008 &nbsp;&nbsp; &nbsp;1&nbsp;&nbsp;&nbsp; C 0.108<br>

                                            H&nbsp;&nbsp;&nbsp; H1N&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.30&nbsp;&nbsp;&nbsp;

                                            1.0080&nbsp;&nbsp; &nbsp;1&nbsp;&nbsp;&nbsp; N 0.095<br>

                                            H&nbsp;&nbsp;&nbsp; H2N&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.30&nbsp;&nbsp;&nbsp;

                                            1.0080&nbsp;&nbsp; &nbsp;1&nbsp;&nbsp;&nbsp; N 0.095 <br>

                                            C&nbsp;&nbsp;&nbsp; CAB&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.12&nbsp;&nbsp;

                                            12.011&nbsp;&nbsp; &nbsp;3&nbsp;&nbsp;&nbsp; C 0.150&nbsp;&nbsp; C

                                            0.150&nbsp;&nbsp; B 0.0<br>

                                            C&nbsp;&nbsp;&nbsp; CAN&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.5&nbsp;&nbsp;&nbsp;&nbsp;

                                            12.011 &nbsp;&nbsp; &nbsp;3&nbsp;&nbsp;&nbsp; C 0.133&nbsp;&nbsp; N

                                            0.132&nbsp;&nbsp; C 0.150<br>

                                            C&nbsp;&nbsp;&nbsp; CNH&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.5&nbsp;&nbsp;&nbsp;&nbsp;

                                            12.011 &nbsp;&nbsp; &nbsp;3&nbsp;&nbsp;&nbsp; C 0.133&nbsp;&nbsp; N

                                            0.132&nbsp;&nbsp; H 0.108<br>

                                            C&nbsp;&nbsp;&nbsp; CBH&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.5&nbsp;&nbsp;&nbsp;&nbsp;

                                            12.011 &nbsp;&nbsp; &nbsp;3&nbsp;&nbsp;&nbsp; C 0.133&nbsp;&nbsp; B

                                            0.0&nbsp;&nbsp;&nbsp;&nbsp; H 0.108<br>

                                            is my manner true?<br>

                                            any help will highly

                                            appreciated. <br>

                                            &nbsp;<br>

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