Equilibrated boxes of organic solvents

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Sat Jul 04 2020 - 11:46:15 CDT

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Hello
There are exhaustive indications on this forum how to prepare equilibrated
boxes of organic solvents for NAMD with CHARMMFF. However, to avoid
duplication of efforts, I am looking for a library of already equilibrated
boxes, in particular of methanol. To be used with CGenFF not for
biopolymers.

Thanks for advice
francesco pietra

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