mohit kumar wrote:
but i dnt find any 'type' column in my topology file..the grompp
programm with this top file works gud in 3.3 version..im having 4.0.5
version..is that can be issue?? shud i try in 3.3 version
This may be some new error-checking mechanism introduced in version 4.0. In
your topology, a function type for pairs should be defined, according to the
header of this section (from pdb2gmx):
[ pairs ]
; ai aj funct c0 c1 c2 c3
If your "funct" column is blank or says "0" then that could be giving the error.
-Justin
On Thu, Aug 6, 2009 at 2:48 PM, Justin A. Lemkul <jalem...@vt.edu
<mailto:jalem...@vt.edu>> wrote:
mohit kumar wrote:
im running energy minimization for POPC bilayer but its showing
error which i cant figure out
-- -------------------------------------------------------
Program grompp, VERSION 4.0.5
Source code file: topdirs.c, line: 99
Fatal error:
Invalid pairs type 0
what does this pair type mean and how can i solve it?? plz help me
The error message is pretty clear. Somewhere within the topology,
you have a "0" in the "type" column, which doesn't correspond to any
known pair type.
-Justin
MOHIT KUMAR
Molecular Biochemistry & Biophysics
Graduate Student
Illinois Institute of Technology
Chicago,IL, USA
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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--
MOHIT KUMAR
Molecular Biochemistry & Biophysics
Graduate Student
Illinois Institute of Technology
Chicago,IL, USA
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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