AMBER Archive (2002)

Subject: PARMSET

From: sara nunez (mbdtssn_at_hotmail.com)
Date: Thu Nov 21 2002 - 08:08:12 CST

Dear amber users,

We are trying to load a parameter file in leap which contains all the
special parameters for our non-standard atoms.
The problem is that leap recognises the bonds, dihedrals, etc. in out .dat
file, but not the atoms types! (and the atom types ARE in the .dat file)
We were wondering where we may have gone wrong.

Our alternative was to edit by hand the atom types in the PARMSET editor,
but once we have done so, how do we save the new.dat file which contains our
the input atom types?
We have tried saveparmset, but leap complains is obsolete. Is there any
alternative to save our new .dat file with the added parameters?

All suggestions are much appreciated.

Thank you very much,
sara

Computational Chemistry Department
University of Manchester
Manchester
M13 9PL

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