try using iwrap=1
On 9/26/07, Anthony Cruz <acb15885.uprm.edu> wrote:
>
> Hi User:
> I have been wotking with a simulation of a heme protein in water. I
> decide to
> run the simulation in multiple steeps of 500 ps. Right now I have 116
> part
> of 500ps (aprox. 60 ns). The problem is that when I re-start the
> simulation
> to do other 5ns of simulation the simulation stop because one of the parts
> cant read the box or the restart file from the previous part. When I check
> the file I found the some of the coordinate were written as *. I restart
> all
> the parts again and have the same problem again. How I can resolve the
> problem of the coordinates in the restart file???
>
> Best regards,
> Anthony
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Received on Sun Sep 30 2007 - 06:07:12 PDT
