I think replace HO by OA chiradip --- [EMAIL PROTECTED] wrote:
> Hi all, > > We want to create and simulate a solvent box > containing TFE. We have > already generated the TFE.gro file, and by using > this file we created > a box containing 38 molecules of TFE (TFE_solv.gro). > We created a file > TFE.top including the tfe topology (using tfe.itp, > provided by > GROMACS). When we executed the grompp command to > generate the .tpr > file, there was an error. It was shown the message > below: > --------------------------------------------------------------------- > Fatal error: > Atom type 'HO' not found ! > --------------------------------------------------------------------- > Can anyone tell me how to solve this problem ? > > > Thanks a lot ! > > Fernando > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > 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 > Chiradip Chatterjee Post Doctoral Research Associate Department of Chemistry and Biochemistry University of California, Santa Barabara USA Phone:1-805-6859381 Mobile :1-805-637-7995 E-mail:[EMAIL PROTECTED] [EMAIL PROTECTED] Home Page: www.chem.ucsb.edu/~cchatterjee/ Group home page : www.chem.ucsb.edu/~gerig/ I LOVE KOLKATA Send instant messages to your online friends http://uk.messenger.yahoo.com _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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