Hello all, I am simulating protein-ligand complex with amber99sb force field in TIP3P water. What would be a reasonable value rvdw? I saw someone uses 1.0, and I did not find any abnormality when using 1.4 nm for rvdw, but where can I find the right reference?
And is this force field parameterized with or without dispersion correction? (Better to turn it on or off?) Thanks, Yun -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
