Dear justin I made a file with (n1/n2=30) two solvents.I want to equilbrate this file.then I must minimize and run md(pre md ).please correct me if It is not right. I use editconf -f test42.pdb(this file) -bt dodecahedron - d 0.5 -o box.gro as you tell for delet periodicity editconf -f box.pdb -princ -pbc -vdwread I could minimiz it.and now I have a distorted file .how can steady and smooth . do you think I have to do long md for it or another else?
best and thank you -- sh-karbalaee _______________________________________________ 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
