On 1/12/17 10:02 PM, Subashini .K wrote:
Hi gromacs users,
I am working on protein-ligand simulation..The commands were given in the
following order
(1)
source leaprc.ff14SB
loadAmberParams frcmod.tip4pew
loadAmberParams frcmod.ionsjc_tip4pew
source leaprc.gaff
LIG = loadmol2 LIG.mol2
Hi gromacs users,
I am working on protein-ligand simulation..The commands were given in the
following order
(1)
source leaprc.ff14SB
loadAmberParams frcmod.tip4pew
loadAmberParams frcmod.ionsjc_tip4pew
source leaprc.gaff
LIG = loadmol2 LIG.mol2
loadamberparams LIG.frcmod
check LIG
receptor =