[gmx-users] Charmm to Gromacs itps

[Miro Astore]

Would topotools in vmd not work in this context? I haven't used it but read
about it recently and it would seem this is the use case. Of course you
also need parameters. Wondering.

Best, Miro

Le sam. 1 févr. 2020 à 00:55, Justin Lemkul <jalemkul at vt.edu> a écrit :

>
>
> On 1/31/20 8:25 AM, atb files wrote:
> >
> >
> >
> >              The files are given on the following server:
> https://terpconnect.umd.edu/~jbklauda/memb.htmlThey have simulated
> systems using NAMD.
>
> If the individual topologies are not available anywhere, just a PSF,
> then you will have to write your own converter program to transform the
> PSF into GROMACS .top format. PSF is very verbose so this should be
> straightforward.
>
> -Justin
>
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> Justin A. Lemkul, Ph.D.
> Assistant Professor
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