Hi Matthew,
Thank you! It turns out you need to add "loadoff solvents.lib" to load the
non-aqueous solvents. I'm just writing this for future people so it's on
the record.
dan
On Mon, Jan 24, 2022 at 5:00 PM Matthew Guberman-Pfeffer <
matthew.guberman-pfeffer.uconn.edu> wrote:
> 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
>
>
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Received on Mon Jan 24 2022 - 14:30:02 PST
