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

[Dawid das]

Thank you! I will definitely have a close look at that.

Best regards,
Dawid

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
>>
>> http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/
>> top2psf/top2psf.pl
>>
>> Would you recommend anything else?
>>
>>
> http://parmed.github.io/ParmEd/html/index.html
>
> -Justin
>
> --
> ==================================================
>
> 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
> 20 Penn St.
> Baltimore, MD 21201
>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
> ==================================================
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/Support
> /Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>