On Sat, Dec 02, 2017, Chitrak Gupta wrote:
>
> I have a follow-up question. I am following the amber lipid tutorial.
> However, my PDB file was TIP3P waters while I would want to use OPC waters
> for my simulation. If I simply replace the "loadamberparams
> frcmod.ionsjc_tip3p" line with "source leaprc.water.opc" in tleap, would
> that work?
This should work. Bear in mind that I have no knowledge of the details of
your tleap commands. Why don't you experiment and see what happens? Note
that you can use parmed to examine details of the resulting prmtop file.
....dac
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Received on Sun Dec 03 2017 - 06:00:04 PST
