[gmx-users] Exporting md frames to pdb format

[Chetan Puri]

Thanks for the reply
On 26 Apr 2017 8:53 pm, "Justin Lemkul" <jalemkul at vt.edu> wrote:

>
>
> On 4/26/17 11:21 AM, Chetan Puri wrote:
>
>> I want to determine if new pockets are developed during md simulation of a
>> protein using fpocket.
>> So is there any way we can convert the trajectory file to individual pdb
>> files or is there any way we can do it in Gromacs
>>
>>
> Use trjconv -sep and/or -dump.
>
> -Justin
>
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> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
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