Hii all;
We got an issue something like
| ERROR: I could not understand line 13754
0.3338281 -0.2220158 0.3101956 0.5860788 -0.7988098 -0.1058605
The production input looks like this:
Equilibration Step of MMP3 (MMMM): stage-1
&cntrl
imin= 0,
irest=1,
NTX=7,
ntb=2,
ntp=1,
PRES0=1.0,
TAUP=2.0,
NTPR=500,
NTWX=500,
NTWR=500,
ntr=0,
Tempi=300.0,
Temp0=300.0,
NTT=3,
gamma_ln=1.0,
NTC=2,
NTF=2,
cut=12.0,
nstlim=10000000,
dt=0.002
/
Do I need to put iwrap=1 as it looks like a system overflowing.
Help will be highly appreciated.
--
Thanks & Regards;
Soumendranath Bhakat
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Received on Mon Sep 01 2014 - 03:00:03 PDT
