I'm sorry, unless you have an old version of Amber, your mdcrd should be
binary, and coordinate overflow would be less likely to be an issue. Can
you compare the size of the mdcrd to that of another run? Does the mdout
show normal termination?
Bill
On 5/12/16 1:21 AM, Bill Ross wrote:
> 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
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu May 12 2016 - 02:00:03 PDT
