[gmx-users] Using Glycam forcefield and amber forcefield together

[bharat gupta]

Dear Gromacs Users,

I have been trying to simulate a docked complex of cellobiohydrolase with
cellotriose for the past 1 week. I have derived the parameters of
ellotriose from ATB server and with these parameters I am getting LINCS
warning at the nvt equilibration step, which I assume is due to the bad
parameterization of the ligand i.e. cellotriose. I also tried simulating
the ligand alone in vaccum and I end with the same LINCS warning at nvt
step. So, I thought to change my strategy by using the GLYCAM06 forcefield
for cellotriose and  Amber ff99SB force field for the protein, but I am not
able to understand how to do that? Any help in this regard would be highly
appreciated.

--
*Best Regards*
Bharat