you might try extracting the last strcture from the mdcrd file using ptraj.
On Wed, Jun 22, 2011 at 7:21 AM, Alessio Atzori
<alessio.atzori.postgrad.manchester.ac.uk> wrote:
> Thank you for your reply.
>
> The last rst file has ***** in it. The input file for the production is this:
>
> ntx=1,
> nstlim=5000000, dt=0.002,
> irest=0, ntt=3, gamma_ln=2.0,
> temp0=300.00,
> ntc=2, ntf=2,
> ntb=0, igb=5,
> cut=999.0, rgbmax = 999.0,
> ntpr=2500, ntwx=2500, ntwr=5000,
>
> Thank you in advance for your reply.
>
>
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Received on Wed Jun 22 2011 - 12:30:03 PDT
