[gmx-users] is it possible to convert NAMD psf file to gromacas format?

[albert]

Thank you very much for kind messages.
I am trying to convert a membrane system psf file for gromcas MD simulation. For I would like to use CHARMM36 for my POPC system, but I cannot find pre-equilibrium CAHRMM36 based POPC system. However, there is some for NAMD and I download the pdf and psf file hoping that it could be converted to related gromacs format.

Do you have any idea about this?

THX




At 2011-05-30，"Francesco Oteri" <francesco.oteri at gmail.com> wrote:

>Topology file is suitable for analysis. I succesfully used the .top to 
>analyse hydrogen bond and salt-bridges.
>I don't know if problems would arise for simulation.
>
>
>Il 29/05/2011 22:10, albert ha scritto:
>> 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:
>> >>  Hello:
>> >>  I am wondering, is it possible to convert NAMD topol psf file into
>> >>  Gromacs topol format?
>> >>
>> >>  Thank you very much
>> >
>> >Hi albert,
>> >you can try with the following commands:
>> >
>> >vmd .psf .pdb
>> >topo writegmxtop output.top
>> >
>> >I recently tried with vmd1.9
>> >
>> >-- 
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