AMBER Archive (2007)

Subject: Re: AMBER: Simulation continuation problem. Cant read restart file!!!!!!

From: Anthony Cruz (acb15885_at_uprm.edu)
Date: Wed Sep 26 2007 - 11:03:41 CDT

Thank you!!!! For your rapidly responce!!!!

Anthony
 
On Wednesday 26 September 2007 11:44 am, Carlos Simmerling wrote:
> try using iwrap=1
>
> On 9/26/07, Anthony Cruz <acb15885_at_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
> > -----------------------------------------------------------------------
> > The AMBER Mail Reflector
> > To post, send mail to amber_at_scripps.edu
> > To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu