Hi all I have installed gromacs 3.3.3 in one of my 32 machine fedora core 2. so check i tried to to do speptide tutorial in /usr/local/gromacs/share/gromacs/tutor/speptide
But when i m running grompp for position restraint with the command grompp -f pr -o pr -c after_em -r after_em -p speptide i get the following warning WARNING 1 [file aminoacids.dat, line 1]: T-Coupling group Protein has fewer than 10% of the atoms (191 out of 2741) Maybe you want to try Protein and Non-Protein instead? I tried to change SOL with non protein but getting the same warning. is it ok to go further with this warning When i did grompp for full MD with the command grompp -v -f full -o full -c after_pr -p speptide again i m getting the same warning WARNING 1 [file aminoacids.dat, line 1]: T-Coupling group Protein has fewer than 10% of the atoms (191 out of 2741) Maybe you want to try Protein and Non-Protein instead? I tried to change SOL with non protein but getting the same warning. I don't know what to do now and how can i overcome this, if anyone could help me. Thanks ALKA _______________________________________________ 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