Re: [gmx-users] REGARDING PROTEIN LIGAND SIMULATION

2017-01-12 Thread Justin Lemkul
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

[gmx-users] REGARDING PROTEIN LIGAND SIMULATION

2017-01-12 Thread Subashini .K
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 =