Dear David
thanks for your great reply, if I am using the leaprc.ff14SB so I don't
need to add the water as solvent is loaded with the ff14SB or if I have to
add the water (tip3p) I have to source the frcmod.tip3pf then can use the
solvatebox foo TIP3PBOX
best
J. Vitali
On Tue, Feb 21, 2017 at 3:28 PM, David Case <david.case.rutgers.edu> wrote:
> 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
> file.
>
> 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 - 07:30:03 PST
