On Sat, Sep 05, 2009, Yikan Chen wrote:
> Actually I do not know how to use frcmod file(I do not quite understand the
> meaning of P70-71 of Ambertools manual), if I do what they said, there will
> be:
> > mods=loadamberparams frcmod
This is correct.
> > saveamberparm TMS prmtop inpcrd
> Checking Unit.
> WARNING: The unperturbed charge of the unit: -1.000000 is not zero.
> -- ignoring the warning.
> Building topology.
> Building atom parameters.
> Building bond parameters.
> Building angle parameters.
> Building proper torsion parameters.
> Building improper torsion parameters.
> total 16 improper torsions applied
> Building H-Bond parameters.
> Not Marking per-residue atom chain types.
> Marking per-residue atom chain types.
> (Residues lacking connect0/connect1 -
> these don't have chain types marked:
> res total affected
> TMS 1
> )
> (no restraints)
Looks like everything is working....dac
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Received on Mon Sep 14 2009 - 12:04:00 PDT
