Maybe you can add a single END after
each single state of your global pdb and
load into pymol. You can then save each single
model by saving pdb and then loading again
into xleap each one of them (model_0001, ....)
if you succeed maybe youŽll get the same topology
file and several restart files corresponding to the
objects loaded separatly into leap. Pymol
does write the hydrogends after heavy atoms,
changing the ordering, but should not affect.
If you save several restart files for your model,
you can use ptraj to get a trajectory, since the
topology file should be the same.
JJ
2007/6/4, David A. Case <case.scripps.edu>:
>
> On Sun, Jun 03, 2007, Mr Defang Ouyang wrote:
>
> > I get the pdb file from material studio, but it cannot input into amber
>
> It really would help if you would give more information:what command you
> used, what the symptom of the error was.
>
> > > > MODEL 1
> > > > ENDMDL
> > > > MODEL 2
> > > > ENDMDL
>
> LEaP doesn't know how to read in multiple models in a single pdb file.
>
> ...dac
>
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Received on Wed Jun 06 2007 - 06:07:22 PDT
