VMD-L Mailing List

From: Sanghamitra Debroy (ee14resch12002_at_iith.ac.in)
Date: Sat May 23 2015 - 04:10:08 CDT

Dear Sir,
I am trying to merge Nickel and graphene. Nickel is generated from dump xyz
file using lammps and graphene is generated using vmd and then merging the
two using pd and psf file.
Initially i tried with VMD 1.9.1 and then with VMD 1.9.2 but getting the
same error.

ERROR

MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.

MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.
    while executing
"readpsf $m2psf"
    invoked from within
"psfcontext eval $psfcon {
    # this is a hack, just to get the topology file
    package require readcharmmtop
    set topologyfile [format "%s/top_a..."
    (procedure "mergeMolecules" line 6)
    invoked from within
"mergeMolecules [list "$guiState(mergef1src).psf"
"$guiState(mergef1src).pdb" ] [list "$guiState(mergef2src).psf"
"$guiState(mergef2src).pdb" ] $gu..."
    (procedure "::MergeStructs::guiMergeConflictsResolved" line 6)
    invoked from within
"::MergeStructs::guiMergeConflictsResolved"
    ("after" script)

Thanks and regards
Sanghamitra Debroy(Bhattacharjee)
Research Scholar
Phone No. 07569098994
email id:- ee14resch12002_at_iith.ac.in
IIT, Hyderabad
A.P, India