<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:10pt"><div><span style="font-family: times new roman,new york,times,serif;">On </span><font style="font-family: times new roman,new york,times,serif;" face="Arial" size="2">Tuesday, August 2, 2011 at 5:17 AM</font><span style="font-family: times new roman,new york,times,serif;">, </span><font style="font-family: times new roman,new york,times,serif;" face="Arial" size="2">Ravi Kumar Venkatraman <ravi.ipc.iisc@gmail.com> wrote:</font><br>> I have got some topology and parameter file
for some small organic molecules from swissparam in *.mol2 format.<br>> I am
trying to generate *.top, *.gro & *.itp files using topolbuild. But I
dont know how to do. So can anybody<br>> give me a link or some materials
related to this.<br>
<br>I'm not sure what the problem is. The topolbuild 1.3.1 download does include documentation<br>on how to use it. Is there something specific you have tried that you are having difficulties<br>with?<br><br>Of course, for use with gromacs 4.5.*, one does have edit the *.top with a text editor to change<br>the initial include lines in the topology file to reflect the re-organization of the force field files.<br>Furthermore, the current topolbuild version does not support CHARMm force fields.<br><br>Also, I believe that swissparam gives those files.<br><br> </div><div>-- <br>Bruce D. Ray, Ph.D.<br>Associate Scientist<br>IUPUI<br>Physics Dept.<br>402 N. Blackford St.<br>Indianapolis, IN 46202-3273<br><br></div></div></body></html>