[gmx-users] antechamber topologies to gromacs format

najwa drici dricinajwa at hotmail.fr
Sun Jul 27 19:55:11 CEST 2008

i want to ask you question about how can i deprotonate or use deprotonated cysteine because I have protein with “cys” in active site, and I want to use deprotonated“cys”. when i run “pdb2gmx “  no option appearing of choosing Cys deprotonated state possibility 

Subject: RE: [gmx-users] antechamber topologies to gromacs formatDate: Sun, 27 Jul 2008 18:33:46 +0800From: NGUY0045 at ntu.edu.sgTo: aninditagayen at yahoo.co.in; gmx-users at gromacs.orgCC: 

Dear Gayen,
Please refer to this page for more information http://chemistry.csulb.edu/ffamber/tools.html

From: gmx-users-bounces at gromacs.org on behalf of ANINDITA GAYENSent: Sun 7/27/2008 6:18 PMTo: gmx-users at gromacs.orgSubject: [gmx-users] antechamber topologies to gromacs format

does anyone know how to conver amber topologies produced by antechamber to gromacs format?Waiting for responseAnindita GayenSenior Research FellowUniversity of Calcutta      Bring your gang together. Do your thing. Find your favourite Yahoo! group at http://in.promos.yahoo.com/groups/_______________________________________________gmx-users mailing list    gmx-users at gromacs.orghttp://www.gromacs.org/mailman/listinfo/gmx-usersPlease search the archive at http://www.gromacs.org/search before posting!Please don't post (un)subscribe requests to the list. Use thewww interface or send it to gmx-users-request at gromacs.org.Can't post? Read http://www.gromacs.org/mailing_lists/users.php
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