[AMBER] Is this necessary HOH=SPC command

From: Saikat Pal <saikatpaliitg.yahoo.com>
Date: Thu, 10 Aug 2017 12:32:52 +0000 (UTC)

Dear all,
In my system PDB (created by packmol) all water is WAT,there is no such HOH.For spce water model which command should i use ??::
 HOH = SPC
WAT = SPC loadamberparams frcmod.spce
or
WAT=SPCloadamberparams frcmod.spce

Is this necessary HOH=SPC command for my system pdb??
Thanks,

Saikat
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Received on Thu Aug 10 2017 - 06:00:03 PDT