Meyer-Almes, Franz-Josef, Prof. Dr. wrote:
Dear all,
I have two question:
1) Are the atom types I chose for the use of OPLS force field correct?
I use gromacs 4.0.7 with opls force field under Ubuntu Linux to simulate
enzyme drug interaction. Since the Dundee Prodrg Server conver
Dear all,
I have two question:
1) Are the atom types I chose for the use of OPLS force field correct?
I use gromacs 4.0.7 with opls force field under Ubuntu Linux to simulate enzyme
drug interaction. Since the Dundee Prodrg Server converts PDB files of drug
structures just in an .itp file comp
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