For ambpdb command I used *rst for vmd visualisation I loaded mdcrd.
In my opinion the rst file is ok but somehow I am not able to use it to
run next production run. How to fix this problem?
Can I send somehow my rst and prmtop file?
/Urszula
> On Wed, 2014-08-20 at 13:38 +0200, Urszula Uciechowska wrote:
>> > How did you check the rst file? Did you just open it up in a text
>> > editor and inspect it?
>>
>> Yes I simply open it in a text editor. I also run ptraj and it wokred
>> for
>> the mdcrd file. What can I do more? How to carry on the simulations?
>> I have also tried to rerun this part couple of times but ended up with
>> the
>> same error.
>
> I'm confused. Are we talking about the inpcrd or restart file you're
> using, or the trajectory (mdcrd)? You need an inpcrd or restart file
> for ambpdb. You CANNOT use an mdcrd with ambpdb -- it will not work.
> Nor can you use an mdcrd to restart a simulation.
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
>
>
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Received on Wed Aug 20 2014 - 05:30:03 PDT
