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" <[email protected]> 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"<[email protected]> 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 [email protected] >> >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 [email protected]. >> >Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > >-- >gmx-users mailing list [email protected] >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 [email protected]. >Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
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