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On 4/27/2011 6:52 PM, Sajad Ahrari wrote:
<blockquote cite="mid:174166.84790.qm@web31706.mail.mud.yahoo.com"
type="cite">
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<div style="color: rgb(0, 0, 0); font-family:
arial,helvetica,sans-serif; font-size: 12pt;">dear users</div>
<div><font class="Apple-style-span" face="arial, helvetica,
sans-serif" size="3">is "MG-ATP" known to gromacs ? in my
pdb structure I have ADP and MG, apart from each other and
not being </font><font class="Apple-style-span" face="arial,
helvetica, sans-serif">crystallized</font><font
class="Apple-style-span" face="arial, helvetica, sans-serif"
size="3"> in the right place. can i omit them and replace
ADP's with MG-ATP? or I should introduce this topology to
gromacs?</font></div>
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<br>
You'll have to do your own literature searching about previous
treatments of ADP and ATP, I'm afraid :-) Pretty much anything that
has been done can be made to work in GROMACS, however.<br>
<br>
See also <a
href="http://www.gromacs.org/Documentation/How-tos/Parameterization">http://www.gromacs.org/Documentation/How-tos/Parameterization</a><br>
<br>
Mark<br>
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