AMBER Archive (2002)

Subject: (no subject)

From: amutha ramaswamy (amutha_ramaswamy_at_yahoo.co.in)
Date: Thu Jan 10 2002 - 04:11:15 CST

Sir

I am a research scholar working in the area of
molecular modeling. Recently i have started using
Amber package. I would like to share some of my
doublts with you. Kindly help me in this regard.
   I have run inital relaxation minimization for my
system and i have started the next step of running md
with "ntr" constraints. The process ended umcompleted
showing FATAL error in "NMR restraints on final step".
The output also showed "vlimit exceeded for step ".

Sir whatparameter should i change to rectify this
problem.

looking for your knid help.

Yours sincerely

R. Amutha
Research scholar
Chemical laboratory
Central Leather Research Institute
Adyar, Chennai 20
INDIA.

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