On Tue, Feb 21, 2017, chemocev marker wrote:
> 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
Best is to update to AmberTools16, where the new naming system is in effect.
You should not use frcmod.tip3pf unless you are interested in the "flexible"
version of tip3p. It is very unlikely that you want that variant.
(I see now from your email subject line that you might be looking for
leaprc.water.tip3p; that is only in AmberTools16.)
....dac
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Received on Tue Feb 21 2017 - 11:30:02 PST
