AMBER Archive (2002)

Subject: reorder water with nmropt

From: Peter Varnai (Peter.Varnai_at_ibpc.fr)
Date: Fri Aug 02 2002 - 07:24:59 CDT

Dear Amber developers,

Could someone tell me why ireorderwat=0 if nmropt.ne.0?

I have an internal constraint on the solute which I guess does
not change numberings or other properties of WAT. Would the
solute numberings change in the restraining process?

Thanks,
Peter Varnai