[gmx-users] is it possible to convert NAMD psf file to gromacas format?
leuven at yeah.net
Sun May 29 22:10:06 CEST 2011
Thank you very much for kind advices. Here is some warning, and I don't know whether there would be some problem or not:
; 'fake' gromacs topology generated from topotools.
; WARNING| the purpose of this topology is to allow using the |WARNING
; WARNING| analysis tools from gromacs for non gromacs data. |WARNING
; WARNING| it cannot be used for a simulation. |WARNING
At 2011-05-30，"Francesco Oteri" <francesco.oteri at gmail.com> wrote:
>Il 29/05/2011 21:58, albert ha scritto:
>> I am wondering, is it possible to convert NAMD topol psf file into
>> Gromacs topol format?
>> Thank you very much
>you can try with the following commands:
>vmd .psf .pdb
>topo writegmxtop output.top
>I recently tried with vmd1.9
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