Hi Everyone,
I came across this back in the winter:
----------------------------
revision 10.16
date: 2009/03/16 17:56:23; author: vbabin; state: Exp; lines: +3 -3
fixed previous fix : set nscm to 0 for ntr=1 or ipimd=1
----------------------------
revision 10.15
date: 2009/03/16 17:42:00; author: vbabin; state: Exp; lines: +1 -1
nscm/ntr : do not alter nscm for ntr=1 if it is > nstlim
----------------------------
revision 10.14
date: 2009/01/28 19:33:09; author: vbabin; state: Exp; lines: +3 -0
better nscm for ntr=1
----------------------------
The problem is very well explained in the A. Roitberg post in this thread
and I agree/believe that the proper solution is to disallow reposition
for ntr=1 (like it is done now in amber11).
Have a great day,
Volodymyr
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Received on Wed Jul 08 2009 - 08:36:01 PDT
