<br><br><div class="gmail_quote">2011/1/20 Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>></span><br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<div class="im"><br>
<br>
Qin Qiao wrote:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Dear all,<br>
<br>
I would like to try a new forcefield in Gromacs 4.5.3. What should I do after I copied the ff to /share/gromacs/top directory? It seems the original FF.dat doesn't exist in 4.5.3.. Could you give me some help?<br>
<br>
</blockquote>
<br></div>
pdb2gmx detects forcefield directories by searching for names that end in .ff, then looking in that directory for a "forcefield.doc" file that contains a brief description of the force field.<br>
<br>
-Justin<br></blockquote><div><br>Thanks. But I cannot find the new forcefield when I used pdb2gmx.. the folder of ff is named 'PACE.ff'<br></div><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Best,<br>
<br>
Qin<br>
<br>
</blockquote>
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-- <br>
========================================<br>
<br>
Justin A. Lemkul<br>
Ph.D. Candidate<br>
ICTAS Doctoral Scholar<br>
MILES-IGERT Trainee<br>
Department of Biochemistry<br>
Virginia Tech<br>
Blacksburg, VA<br>
jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> | (540) 231-9080<br>
<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</a><br>
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