[AMBER] Implicit solvation method: problem with the rst file

From: M.Venkata Satish Kumar <v.satish.iitg.ernet.in>
Date: Mon, 25 Aug 2014 16:38:51 +0530

Dear Amber users,
We have carried out implicit solvation method for the simulation of our
system (peptide)containing 42 amino acids. Everything went fine upto the
heating step. But in the equilibration step we faced the problem.
We have problem with the rst file.
The rst file contains ********. So the file is not able to read for the
next step of simulation.
Here is the equilibration input file:
  imin=0, irest=1, ntx=5,
  nstlim=100000, dt=0.002,
  ntc=2, ntf=2,
  ntt=1, tautp=0.5,
  tempi=325.0, temp0=325.0,
  ntpr=500, ntwx=500,
  ntb=0, igb=1,
Thanks in advance .

with best regards,

M.V.Satish Kumar,
Research Scholar,
Department of Biotechnology,
Guwahati-781 039
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Received on Mon Aug 25 2014 - 04:30:02 PDT
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