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
leaprc.water.spce.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Aug 10 2017 - 04:30:03 PDT
