[gmx-users] generation of the pdb file
omovie_johnnie at hotmail.com
Fri Aug 24 03:25:36 CEST 2007
I have used pymol to generate pdb files for simple polypeptides.
You might want to check to see if it will meet your needs.
John> From: shura at phys.sinica.edu.tw> To: gmx-users at gromacs.org> 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 gmx-users at gromacs.org> 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 gmx-users-request at gromacs.org.> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
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