Hi, I have a system with a protein and two different ligands. I'm trying to use distance restrain to hold the ligands inside the protein during a free energy calculation. If I use the distance restrains only between the protein and the first ligand I don't get any error, but if I introduce restraints for The second ligand i get a lot of LINCS warnin and the calculation ends with Segmentation fault error. I use the command disre = enesemle in my mdp file. Could you help me.
Thanks a lot Jacopo _______________________________________________ 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
