[AMBER] How to use ff99SB-ILDN in Amber16

From: Yang, Tianyi <TiaYang.clarku.edu>
Date: Fri, 12 Oct 2018 21:26:13 +0000


I am using Amber 16 to run a simulation of a protein. The force field I am using is ff14SB. I am also using Gromacs to run the simulation of the same protein with force field of ff99SB-ILDN. The simulation results are quit different. So I am wondering is it possible to use ff99SB-ILDN in Amber? If yes, what commands am I supposed to use in xLeap?

Tianyi Yang
AMBER mailing list
Received on Fri Oct 12 2018 - 14:30:02 PDT
Custom Search