Thanks John, I will use pymol or some other program. I was just expecting that GROMACS has its own tool for that. Thanks again.
Shura n Thu, 23 Aug 2007 21:25:36 -0400, Sheyore Omovie wrote > > I have used pymol to generate pdb files for simple polypeptides. > You might want to check to see if it will meet your needs. > Rgds > John > > > From: [EMAIL PROTECTED] > > To: [email protected] > > Date: Fri, 24 Aug 2007 07:48:27 +0800 > > Subject: [gmx-users] generation of the pdb file > > > > > > Hi, > > I am new in GROMACS and MD though have some experience of MM and Monte Carlo > > simulations. I have looked through the users archive as carefully as I could > > but couldn't find the answer to my (probably very simple) question: > > how to generate pdb file if your peptide is not in PDB databank? T.e. > > suppose > > I know only the aminoacid sequence and want to do a folding simulation or > > simulated annealing starting from some random conformation. Then how to > > generate a pdf file for GROMACS? Thanks. > > > > Shura > > > > -- > > Open WebMail Project (http://www.phys.sinica.edu.tw) > > > > _______________________________________________ > > gmx-users mailing list [email protected] > > http://www.gromacs.org/mailman/listinfo/gmx-users > > Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php > > ----------------------------------------------------------------------- Find a local pizza place, movie theater, and [WINDOWS-1252?]more .then map the best route! Find it! -- Open WebMail Project (http://www.phys.sinica.edu.tw)
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