AMBER: Problem with specifying NOSHAKEMASK

From: Gobind Singh Bisht <>
Date: Sun, 3 Dec 2006 16:12:01 +0530

dear users,
               Sander is not accepting the NOSHAKEMASK string that i entered
in the input file.
the input file is:
md equilibration for 100ps of energy minimised atpase
  ntt=3, gamma_ln=1.0,
  tempi=0.0, temp0=300.0,
  ntc=3, ntf=1, jfastw=4,
sander is giving the following error in the output file:
Error in group input::atommask.f::tokenize
illegal symbol in maskstr:
Can anybody please help me figure out what wrong.

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Received on Wed Dec 06 2006 - 06:07:06 PST
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