If you inspect by e.g. 'tail mdcrd' or 'less mdcrd', do you see any ***
or numbers that run together?
Bill
On 5/12/16 1:18 AM, Sneha Rai wrote:
> Dear Amber users,
>
> I have used the following input file for 20 ns production run. The output
> file indicates that run is complete without any errors. However, when I
> load mdcrd file of production run in VMD, only 1367 frames were loaded and
> I was expecting 4000 frames. Following is my input file for production run,
> kindly suggest possible solution for this problem.
>
> Production
> &cntrl
> imin=0,
> ntx=5,
> irest=1,
> nstlim=10000000,
> dt=0.001,
> ntf=2,
> ntc=2,
> temp0=300.0,
> ntpr=2500,
> ntwx=2500,
> ntwr=2500,
> cut=8.0,
> ntb=2,
> ntp=1,
> ntt=3,
> gamma_ln=2.0,
> /
>
>
> Thanks & Regards
>
> Sneha Rai
> Ph.D. Research Scholar
> Computational and Structural Biology Lab
> Division of Biotechnology
> NSIT
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Received on Thu May 12 2016 - 01:30:06 PDT
