On Fri, Oct 16, 2015 at 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.
>
I'm not sure what this means. Can you be more specific? Do you see any
error messages printed by VMD? How are you trying to load it into VMD?
Can cpptraj read the trajectory?
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,
> /
>
Did the MD finish? Look at the mdout file -- it should be obvious whether
there was an error or whether it finished. This input file doesn't tell us
much.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Oct 16 2015 - 13:30:05 PDT
