Shandilya Ashutosh
On 18 October 2010 12:42, Ashutosh Shandilya <izerokelvin.gmail.com> wrote:
> Hi all
> I am trying to run simulation on Tesla C2070 cuda machines (Amber11).I
> gives the output as STOP PMEMD terminated abnormally! and the out file says
> could not read velocities from crd file.
> My input file is
> &cntrl
> imin = 0,
> irest = 1,
> ntx=5,
> ntb=2,
> ntp = 1,
> taup=2.0,
> cut = 10,
> ntc = 2,
> ntf = 2,
> tempi = 300,
> temp0 = 300,
> ntt = 3,
> gamma_ln = 1.0,
> nstlim =10000000, dt = 0.001,
> ntpr =10000, ntwx = 10000, ntwr = 10000
> /
> Kindly have a look.
> regards
> Shandilya Ashutosh
>
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 19 2010 - 02:00:03 PDT
