I would look at the md out file with a text editor. It's unlikely that this
finished properly. For example, you say explicit water but this inout uses
GB solvation.
On Oct 16, 2015 3:55 PM, "Balajee Ramachandran" <rbalajeebio.gmail.com>
wrote:
> Dear friends,
>
> I am new to this group!!!
>
> I am executing explicitly with TIP3P 10A. It completes the process and
> when opening in VMD, it accepts all the file like heat, equil and density.
> But, the MD file is not getting opened. My inputs parameters are given
> below.
>
> production test_1
> &cntrl
> imin=0,
> irest=1,
> ntx=4,
> nstlim=2500000, dt=0.002,
> ntc=2, ntf=1, igb=1
> cut=999.,
> ntb=0,
> ntp=0,
> ntpr=100000, ntwx=25000, ntwr=100000,
> ntt=3, gamma_ln=2.0, temp0=310.0,
> /
>
> Expecting the reply.
>
> Balajee
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Oct 16 2015 - 13:30:06 PDT
