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

albert 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:
>> 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
>
>-- 
>gmx-users mailing list    gmx-users at gromacs.org
>http://lists.gromacs.org/mailman/listinfo/gmx-users
>Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
>Please don't post (un)subscribe requests to the list. Use the 
>www interface or send it to gmx-users-request at gromacs.org.
>Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110530/333ef189/attachment.html>


More information about the gromacs.org_gmx-users mailing list