> Good day all
> Please, I am running a protein-protein md simulation onAmber 18
> my md is being terminated, here is this error message Igot from my md_error file “TOP PMEMD Terminated Abnormally!”
> My md.in looks as follow;
>Equilibration Step of MMP3 (MMMM): stage-1
&cntrl
>imin= 0,
iwrap=1,
irest=0,
NTX=1,
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,
ntxo=1,
ioutfm=0,
/
Kindly advice on how to solve this problem.
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Received on Tue Sep 01 2020 - 02:30:02 PDT
