Hi all, I have built a topology file for chaps in OPLS force field with inserted hydrogen atoms along with bonds, angles, dihedrals etc parameters using the original topology from prodrg2. The problem is now,
grompp results as, Generated 342378 of the 342378 non-bonded parameter combinations Generating 1-4 interactions: fudge = 0.5 Generated 342288 of the 342378 1-4 parameter combinations Excluding 3 bonded neighbours for DRG 1 Excluding 2 bonded neighbours for SOL 4108 processing coordinates... why 342288 of the 342378 1-4 parameter combinations are generated? Help is requested yours sincerely, anindita Meet people who discuss and share your passions. Go to http://in.promos.yahoo.com/groups/bestofyahoo/ _______________________________________________ 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