In the drug-enzyme tutorial it says that the crude was refined using a certain force field, SD, and CG. How was this accomplished?
-----Original Message----- From: gmx-users-boun...@gromacs.org on behalf of Justin A. Lemkul Sent: Wed 10/7/2009 1:11 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] PRODRG jorge_quint...@ciencias.uis.edu.co wrote: > Hello Chanel > > Could you send a copy of the PDB file. I think that the error is related > with label atoms included in each force fiel parameter. > More likely this is yet another case of a common misconception about how to use Gromacs. Specifically, the first error message located under the pdb2gmx heading here: http://www.gromacs.org/Documentation/Errors -Justin > See you. > >> Hello, >> I have recently made a pdb file using the Dundee PRODRG server. >> However, when I try to use this pdb in gromacs, I receive an error message >> that states: "DRG is not in the topology database." I have tried to use >> the >> available tutorial to solve this issue, but with not much success. Could >> anyone give me a step by step procedure so that I can use the pdb I have >> made >> using PRODRG? >> >> Thanks, >> Chanel King >> _______________________________________________ >> gmx-users mailing list gmx-users@gromacs.org >> http://lists.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-requ...@gromacs.org. >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> > > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://lists.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-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- ======================================== Justin A. Lemkul Ph.D. Candidate ICTAS Doctoral Scholar Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ======================================== _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.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-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
<<winmail.dat>>
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.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-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php