Re: [AMBER] > source leaprc.water.tip3p

From: David Case <>
Date: Tue, 21 Feb 2017 09:28:05 -0500

On Tue, Feb 21, 2017, chemocev marker wrote:

> I am using the amber14 module and I could not find the file for the
> leaprc.tip3p,

Back in Amber14, the "solvents.lib" file was usually loaded as a part
of leaprc.ff14SB (or similar, general purpose force fields. The tip3p
parameters are part of parm10.dat but can also be loaded via the frcmod.tip3p

Starting with Amber16, we considerable simplified (!) force field naming,
with leaprc.protein.*, leaprc.water.*, leaprc.DNA.*, and leaprc.RNA.*
files, which can be loaded into leap as needed by your system.

...hope this helps....dac

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Received on Tue Feb 21 2017 - 06:30:03 PST
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