fulya caglar wrote:
Hi Mark,
Two months ago I send a mail to Gromacs user to leran how I generate the
.itp file and Tsjerk told me that I should use pdb2gmx.So I used
it!Could you tell me how can I prepare
.itp file,please?My time is running out and my supervisor wait for some
results from me!!
Thanks very much!!!
Fulya
you have a force field inconsistency. note that prodrg generates
topologies for an old force field (ffgmx) that you have to update for
newer ffs like gromos96. there are tips on mailing list and probably
wiki for this.
--
David van der Spoel, Ph.D.
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
