Raja Copy your forcefield rtp file to you working diecrtory and comment out the CYSH entry
This way pdb2gmx will use CYS (deprotanated) topology, It may give a warning as cant find CYSH trying to use CYS Give it a try Alpay Date: Thu, 24 Aug 2006 06:10:00 -0700 From: "raja" <[EMAIL PROTECTED]> Subject: To: [email protected] Message-ID: <[EMAIL PROTECTED]> Content-Type: text/plain; charset="iso-8859-1" Hi all, I have protein with cys in active site, and I want to use deprotonated cys. In manual for pdb2gmx clearly says on option of choosing Cys protonated state possibility but why that option not appearing while running pdb2gmx , just like for Arg, His, Asp and Glu. I read quite a lot of mails regarding this issue most of them are in 2004 archives. Hope things are now changed and I can get some direct solution for this from any of you. With thanks! B.Nataraj -- raja [EMAIL PROTECTED] -- http://www.fastmail.fm - Same, same, but different _______________________________________________ gmx-users mailing list [email protected] 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
