Dear David, Thanks for advice, i had made the changes but still getting the same error that
Fatal error: Atomtype 'SD' not found! SDMSO 32.06000 ; DMSO Sulphur (solvent) CDMSO 15.03500 ; DMSO Carbon (solvent) ODMSO 15.99940 ; DMSO Oxygen (solvent) **************Changes Made in ffG43a1.atp file*********************** SD 32.06000 ; DMSO Sulphur (solvent) CD 15.03500 ; DMSO Carbon (solvent) OD 15.99940 ; DMSO Oxygen (solvent) I am totally helpless and clueless in finding my mistakes.Any help,hint, suggestions are most welcome. Thanks, With Regards anil > > Today's Topics: > > 1. Re: Error while doing EM in DMSO. (David van der Spoel) > Date: Wed, 16 May 2007 21:07:54 +0200 > From: David van der Spoel <[EMAIL PROTECTED]> > Subject: Re: [gmx-users] Error while doing EM in DMSO. > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > Message-ID: <[EMAIL PROTECTED]> > Content-Type: text/plain; charset=ISO-8859-1; format=flowed > > Anil Kumar wrote: >> Dear Users, >> >> First of all thank you Mark, yes you are right. it was problem of force >> field and topoloy file mismatch. >> I have made changes in the ffG43a1 residue toplogy file for DMSO., but >> still getting the same error. Please let me know if i am doing some >> mistake. >> > If the problem is the missing masses, then just add them in the [atoms] > section. (Chapter 5) > > -- > David. > ________________________________________________________________________ > David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group, > Dept. of Cell and Molecular Biology, Uppsala University. > Husargatan 3, Box 596, 75124 Uppsala, Sweden > phone: 46 18 471 4205 fax: 46 18 511 755 > [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se > +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
