Good point, Dan. In my case, I was loading an older leaprc file that already loaded solvents.lib.
Best,
Matthew
> On Jan 24, 2022, at 5:17 PM, Daniel Konstantinovsky <daniel.konstantinovsky.yale.edu> wrote:
>
> *Message sent from a system outside of UConn.*
>
>
> 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
