Hello sir, >From last few days , i was using TINKER for implicit simulations using force field oplsaa Now for explicit one, i switched to gromacs version 4.0.But if i take pdb file from tinker (molecular modelling software) and paste it in The Dundee Prodrg server. i got my *.itp file, *.gro file.
But if i use force field as ffoplsaa or ffG43a1 or any other force field except ffgmx. I always got error in atom type not found. Tell me what to do. Can i switch to gromacs older version i.e.3.3.1??? Whether i can use The Dundee Prodrg server for peptides having usual amino acid??? With regards, Bhawana
_______________________________________________ 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
