Re: [AMBER] Query about SPC and SPCE water model

From: David A Case <>
Date: Thu, 10 Aug 2017 07:18:12 -0400

On Thu, Aug 10, 2017, Saikat Pal wrote:

>  SPC.pdb and SPCE.pdb  Are they same or different?? Actually, I want to
> use spce.pdb in my system but in leap list, there is no spce. There are
> only  SPC, SPG and SPF present.I am using ff14SB.

"SPC" is SPC/E. Residue names in pdb files are limited to three characters,
so we made that truncation. Check the comments at the top of


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Received on Thu Aug 10 2017 - 04:30:03 PDT
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