[gmx-users] Force field transformation from Gromacs to Charmm format
addiw7 at googlemail.com
Mon Dec 19 08:27:54 CET 2016
Thank you! I will definitely have a close look at that.
2016-12-19 2:33 GMT+01:00 Justin Lemkul <jalemkul at vt.edu>:
> On 12/18/16 12:22 PM, Dawid das wrote:
>> 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
>> Would you recommend anything else?
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 629
> University of Maryland, Baltimore
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> Baltimore, MD 21201
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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