Re: [AMBER] MEOHBOX/CHCL3BOX not working

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

From: Matthew Guberman-Pfeffer <matthew.guberman-pfeffer.uconn.edu>
Date: Mon, 24 Jan 2022 16:59:32 -0500

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