[gmx-users] generation of the pdb file

Shura Hayryan shura at phys.sinica.edu.tw
Fri Aug 24 01:48:27 CEST 2007

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.


Open WebMail Project (http://www.phys.sinica.edu.tw)

More information about the gromacs.org_gmx-users mailing list