Hi Dan,
When I tried this before, I needed to use CHCL3BOX in the solvateBox command. The two MeOH-specific lines I had were:
loadAmberParams frcmod.chcl3
solvateBox omcz CHCL3BOX 15.0
Hope that helps.
Best,
Matthew
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jan 24 2022 - 14:00:04 PST