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<body>Where does swissparam get its parameters for charmm? and does it use custom atomtypes for generic molecules? I have been using CGenFF-derived parameters for molecules that aren't in base c36 and I think it's working well for me...<br>
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Sent from my Android phone with K-9 Mail. Please excuse my brevity.<br><br><div class="gmail_quote">Shima Arasteh <shima_arasteh2001@yahoo.com> wrote:<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<div style="color:#000; background-color:#fff; font-family:arial, helvetica, sans-serif;font-size:12pt"><div>Dear gmx users,</div><div><br></div><div>My .pdb input file has a formyl group which is not defined in CHARMM27 and CHARMM36. So I got its .itp file through swissparam. Now I want to use its parametrs. As I read in gromacs.org , I need to include this .itp in .top file. How does it come when I have not got any .top file yet?</div><div>Anybody can suggest me how I can use .itp file and solve my problem?</div><div><br></div><div>Thanks in advance,</div><div>Shima</div></div></blockquote></div></body></html>