[AMBER] restart file error

From: Sidhu, Khushwant (Dr.) <"Sidhu,>
Date: Fri, 18 Mar 2016 10:59:37 +0000

Hi,

when I try to restart a simulation from a restart file (I’ve rerun & written multiple ones), I get the following in most of them

cat tstar-25N_mdrun3.rst_39000000|grep "*"
 109.8620092-180.0417570 558.6467279************ -94.5936925 39.7954818
************ -94.6608645 40.2439769************ -94.6238634 40.4988053
************ -94.6040732 39.9183133-103.9120614 501.3300167 -51.3830672

My input file is as follows:


production run protocol
 &cntrl
  imin=0, irest=1, ntx=5, ig=-1, ioutfm=1,
  nstlim=40000000, dt=0.002,
  ntc=2, ntf=2,
  ntb=2, cut=8.0,
  ntp=1, taup=2.0,
  ntpr =10000, ntwx=50000, ntwr=-50000, ntwv = -1
  ntt=3, gamma_ln=2.0,
  temp0=300.0,
 /

cheers

Sid

------------------------------------------------------------------------------------

Dr Khushwant Sidhu
Senior Experimental Officer / I. T. Professional

Department of Molecular and Cell Biology,
1/61 Henry Wellcome Building , University of Leicester,
Lancaster Road,
Leicester,
LE1 7RH

T: 0116 229 7237
E: k.sidhu.le.ac.uk<mailto:k.sidhu.le.ac.uk>

[cid:151BE3D7-8FA6-433C-911F-5620E921A339.le.ac.uk]

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Received on Fri Mar 18 2016 - 04:00:03 PDT
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