hmm, okay, forget whatever you think I replied :) On 11/5/08, Berk Hess <[EMAIL PROTECTED]> wrote: > > Hi, > > There is a bug in the 4.0 grompp which causes problems when you have two > consecutive "blocks" with the same molecule type. > You will have to merge them into one block. > > I have fixed this bug for the 4.0.1 release. > > Berk > > ________________________________ > > Date: Wed, 5 Nov 2008 13:21:27 +0530 > > From: [EMAIL PROTECTED] > > To: [email protected] > > Subject: [gmx-users] grompp error > > > > > > > Dear all > > I am facing a problem in gromacs-4.0 during grompp. > > > > 1. After Genbox command , when I am giving Grompp command,the coordinates > of top file and gro file are not matching. > > > > 2. I have tried following the same protocol in gromacs-3.3.3D. It went on > fine without any error. > > > > 3. Both the top files (across different versions of gromacs) however have > got the same content.The water box is being included in the top file as well > after genbox. > > > > The error messege is like this. > > > > ------------------------------ > > > > Program grompp_d, VERSION 4.0 > > Source code file: grompp.c, line: 352 > > > > Fatal error: > > number of coordinates in coordinate file (file_b4em.gro, 46634) > > does not match topology (file.top, 9977) > > ------------------------- > > Does anybody throw some lights on it? > > > > Regards > > Supti Mukhopadhyay > > PhD student > > NIMHANS, Bangalore > > India. > > > _________________________________________________________________ > Express yourself instantly with MSN Messenger! Download today it's FREE! > > http://messenger.msn.click-url.com/go/onm00200471ave/direct/01/_______________________________________________ > 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 >
-- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ 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
