AMBER Archive (2003)

Subject: Please help on xleap: FATAL ERROR

From: Margaret Shun Cheung (mscheung_at_Glue.umd.edu)
Date: Thu May 22 2003 - 17:20:42 CDT

Dear All,

I have created several new types of atoms using an arbituary force field.

This is my command file, foo.cmd, for "xleap -s -f foo.cmd"
=================================================

clearVariables
logFile foo.log

addAtomTypes {
        { "AA" "C" "sp3" }
        { "AB" "C" "sp3" }
        { "AC" "C" "sp3" }
        { "AD" "C" "sp3" }
        { "AE" "C" "sp3" }
        { "AF" "C" "sp3" }
        { "AG" "C" "sp3" }
        { "AH" "C" "sp3" }
        { "AI" "C" "sp3" }
}
loadAmberPrep foo.in
a = {R0 R1 R2
    }

set a restype protein
saveOff a ./foo.lib

===============================================

then I load the parameter file

> parmfoo = loadamberparams foo.dat
> edit parmfoo

I found that the types of made-up atoms are all gone,
so I have to input them again by hand in the menu.
However, whenever I tried to save the modification, xleap crashed
with the following error message,

XATRegisterShell: There are problems with WidgetCreatedTable
!FATAL ERROR----------------------------------------
!FATAL: In file [sysdepend.c], line 104
!FATAL: Message: Illegal print string callback!!
!ABORTING.
Abort (core dumped)

Can someone provide me a hint of how to fix it? Thank you very much.

Sincerely,

----------------------------------------------------------------
Margaret S. Cheung, Ph. D. | Tel: (301)405-7568
Postdoctoral Fellow | Fax: (301)314-9404
IPST Room 2116 | mscheung_at_ipst.umd.edu
University of Maryland | http://glue.umd.edu/~mscheung
College Park, MD 20742-2431 |
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