<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><DIV>Hi,</DIV>
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<DIV>The .str file contains the information of atomtype, bonds and improper dihedrals, so it is eneough to write a .rtp file. Then using pdb2gmx to generate the itp file. </DIV>
<DIV>And you also need to add the missing parameters from CgenFF into the itp parameter files based on chapter 5, as Justin suggested.</DIV>
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<DIV>best regards,</DIV>
<DIV>Jianguo </DIV>
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<B><SPAN style="FONT-WEIGHT: bold">From:</SPAN></B> Steven Neumann <s.neumann08@gmail.com><BR><B><SPAN style="FONT-WEIGHT: bold">To:</SPAN></B> gmx-users@gromacs.org<BR><B><SPAN style="FONT-WEIGHT: bold">Sent:</SPAN></B> Wednesday, 24 August 2011 20:26:13<BR><B><SPAN style="FONT-WEIGHT: bold">Subject:</SPAN></B> [gmx-users] Convert drug Charmm topology to Gromacs<BR></FONT><BR>
<META content=off http-equiv=x-dns-prefetch-control>Dear Gromacs Users,<BR> <BR>I have generated topology file for CHARMM ff using online server for my small molecule (I obtained .str file). How can I convert it into the Gromacs topology file (.itp)?<BR> <BR>Thanks,<BR> <BR>Steve
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