I loaded the leap using the following command in terminal window:
$AMBERHOME/exe/xleap -s -f $AMBERHOME/dat/leap/cmd/leaprc .ff02EP
In xleap, I given following commands to prepare the topology and coordinate
files:
model=loadpdb 4INSm.pdb
addions model Na+ 0
solvateoct model TIP3PBOX 8
saveamberparmpol model model_wat.prmtop model.wat.prmcrd
The pdb file that I loaded in xleap is attached here.
thanks..
Dr. Dilip H Dagade
On 8/15/07, David A. Case <case.scripps.edu> wrote:
>
> On Wed, Aug 15, 2007, Dilip Dagade wrote:
> >
> > EXTRA_PTS: frtype 2 Should not be here
> > 96 93 2 2
> >
> > The topology file were prepared using ff02EP force field.
>
> Can you post the pdb file you used, and the LEaP commands you used to make
> the
> topology file? We will need to be able to reproduce the problem in order
> to
> see what is going on.
>
> ...thanks....dac
>
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--
Dr. Dilip H Dagade,
Department of Chemistry,
Shivaji University,
Kolhapur - 416 004 (India)
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Received on Sun Aug 19 2007 - 06:07:18 PDT
