[AMBER] Problem in Restarting production run

From: ATUL KUMAR <atul44_sit.jnu.ac.in>
Date: Thu, 12 May 2016 12:49:04 +0530

Dear amber User, I have run a production run of 100 nanosecond after
equilibration. And when I am trying to restart the simulation from .rst
file after 100 nanosecond production run following error is coming in .out

 ERROR: I could not understand line 53937
  -0.2190498 -0.3801701 -0.2146155 0.2120442 -0.0483578 -0.1870282

in .rst file, from 53937 line velocity information is given.

the .in file is as follows:

Constant pressure constant temperature production run
  nstlim=500000, dt=0.002, ntx=5, irest=1, ntpr=50, ntwr=50, ntwx=50,

  temp0=300.0, ntt=3, gamma_ln=1.0, ioutfm=1,

  ntb=2, ntp=1,

  ntc=2, ntf=2,

please help me out in resolving this problem
thank you
*Atul Kuamr jaiswal*
Research Scholar
School of Computational and Integrative Sciences
Centre for Computational Biology and Bioinformatics (CCBB)
JNU,New Delhi
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Received on Thu May 12 2016 - 00:30:03 PDT
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