Re: [AMBER] Reading and Writing mdfrc files generated by pmemd

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Thu, 16 Jun 2016 10:54:55 -0400

do you mean writing coordinates with force?

If yes, this is example with *cpptraj*

parm systemVF.parm7
trajin systemVF.nc
strip :WAT
trajout out.nc force

pytraj does not support that yet.

Hai

On Thu, Jun 16, 2016 at 9:33 AM, SHAILESH KUMAR <shaile27_sit.jnu.ac.in>
wrote:

> Dear Amber user,
>
> Are there any ways to read and after striping solvent write out mdfrc
> trajectory netcdf files generated by pmemd using cpptraj or pytraj.
>
> Thank you
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Received on Thu Jun 16 2016 - 08:00:03 PDT
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