Doubly sorry, I was going on the documentation, which is ambiguous at
best on the default for ioutfm - it seems to be ascii after all, as seen
in my own simulation. So please try 'tail mdcrd' etc.
Bill
On 5/12/16 1:33 AM, Bill Ross wrote:
> 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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>
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Received on Thu May 12 2016 - 02:00:05 PDT
