[gmx-users] HOW TO USE SILVER ATOMS IN AMBER99 FORCE FIELD
zandsalimi at ibb.ut.ac.ir
Wed Mar 7 14:19:01 CET 2012
Dear GMX users;
I hope you are well.
I want to simulate the interactions between DNA and Ag clusters. The problem
is that Amber99 ff does not know silver atoms and residues.
I have defined Ag and Au in atomtypes.atp and assigned Ag LJ parameters in
ffnonbonded.itp. But I cannot find out how to define new residues.
I would be so thankful if you help me solve this problem.
Biophysics MSc student
Institute of Biochemistry and Biophysics(IBB),
University of Tehran, Enghelab Ave., Tehran, Iran
P.O. Box: 13145 - 1384
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