[gmx-users] Force field transformation from Gromacs to Charmm format

Dawid das addiw7 at googlemail.com
Sun Dec 18 18:22:13 CET 2016


Dear All,

Have you ever seen a script/tool that allows for transformation of the
Gromacs force field files
into CHARMM force field files? I can see that there is a Pythons script
that does the other
way around.

Also I could use a tool that creates *.psf file from *.top file. I googled
for that and found this

http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/top2psf/top2psf.pl

Would you recommend anything else?

Best regards,
Dawid Grabarek


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