Thank you for your reply, Mark. That is what I was afraid of, that I would have to physically combine the files. My only problem there is the format of the topology file that comes from pdb2gmx is slightly different than that which comes from the PRODRG server. For example, under the [ bonds ] section:
(from pdb2gmx): ... 5234 5236 2 gb_2 5237 5238 2 gb_4 ... (and from PRODRG): ... 5252 5254 1 0.140 334720.0 0.140 334720.0 CAY NBN 5254 5255 1 0.100 374468.0 0.100 374468.0 NBN HAF ... I will try to decipher this and see what comes of it. Thankfully, the renumbering of atoms was not a problem because of the reorder.pl script available in the user contributions section. Again, thank you for your reply Mark, I hope all that I said has made sense. Cheers, W. Allen _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
