[email protected] wrote: > Dear, > As a small test, I want to simulate polystyene(PS) using GROMACS. > Firstly, I obtain a pdb file of a PS chain consisting of 20 repeating > unit(320 atoms totally ) and add the STY residues to the .rtp files. > while running pdb2gmx, the procedure was finished "successfully". but I > find that only 16 atoms are in the generated .gro and .top files. Have > you met this strange thing? Or tell me what I should do with it? > The information you are sending here is not complete. How were termini treated, hw was pdb2gmx invoked? How do the building blocks in the rtp file and hdb file look like?
> Best regards, > Chaofu Wu > [email protected] <mailto:[email protected]> > > > ------------------------------------------------------------------------ > > _______________________________________________ > 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 -- David van der Spoel, Ph.D., Professor of Biology Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University. Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755. [email protected] [email protected] http://folding.bmc.uu.se _______________________________________________ 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
