Thank you for guiding me.
Actually problem with
loadAmberParms frcmod.spce
Here "a" is mistake in loadAmberPar*a*ms frcmod.spce
Thank you again
'''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''
*Md Homaidur Rahman*
PhD Research Scholar
Computational Biophysics Lab.
Department of Biotechnology
Indian Institute of Technology-Madras
Chennai-600 036
*Mobile No = +91- 7845991785*
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On Thu, Mar 27, 2014 at 6:46 PM, David A Case <case.biomaps.rutgers.edu>wrote:
> On Thu, Mar 27, 2014, MOHD HOMAIDUR RAHMAN wrote:
> >
> > The wat_pack.pdb contain only repeating water molecule and "WAT" is
> residue
> > name.`
> >
> > ATOM 1 O WAT A 1 9.649 18.830 4.849 1.00 0.00
> > ATOM 2 H1 WAT A 1 10.382 19.458 4.852 1.00 0.00
> > ATOM 3 H2 WAT A 1 9.994 18.025 4.443 1.00 0.00
> > TER
> >
>
> OK...then experiment some. I'd particularly recommend not changing the
> internal names in SPC:
>
> > > > set SPC.1 name "SPC"
> > >
> > > Why did you do this? It might well have some undesirable side-effects;
> > > waters are conventionally named WAT or HOH.
>
> ...good luck....dac
>
>
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Received on Thu Mar 27 2014 - 12:00:03 PDT
