Dear AMBER community,
I'm using carnal of the 6.0 package of AMBER.
I am trying to do Hbonds study of my protein trajectories cut in several
crd files by using restart files.
I have no problem when i use only one of the crd files.
The problem is a segmentation fault when i put several crd files in the
carnal.in.
Has anyone experienced this problem before?
Does anyone no what might happen?
Thanks a lot for help
Best regards,
jean-françois
******here the in file :
FILES_IN
PARM p1 ../../../FP/ABFP_mod_H_wat.parm;
STREAM s1 p1
a1.traj
a2.traj;
FILES_OUT
HBOND hb1 carnalHBOND_SS_ABFP_4.0_60.0 LIST;
HBOND hb2 carnalHBOND_SW_ABFP_4.0_60.0 LIST;
HBOND hb3 carnalHBOND_WS_ABFP_4.0_60.0 LIST;
DECLARE
GROUP grp1 s1 (SOLUTE);
GROUP grp2 s1 (RES NAME WAT);
OUTPUT
HBOND hb1 DONOR grp1 ACCEPTOR grp1 DISTANCE 4.0 ANGLE 60.0 STATS;
HBOND hb2 DONOR grp1 ACCEPTOR grp2 DISTANCE 4.0 ANGLE 60.0 STATS;
HBOND hb3 DONOR grp2 ACCEPTOR grp1 DISTANCE 4.0 ANGLE 60.0 STATS;
END
****** out file :
- CARNAL -
AMBER 6.0
COORDINATE ANALYSIS
input carnalHBONDABFP.in
> FILES_IN
> PARM p1 ../../../FP/ABFP_mod_H_wat.parm;
Reading parm file (../../../FP/ABFP_mod_H_wat.parm)
parm: opening ../../../FP/ABFP_mod_H_wat.parm
.../../../FP/ABFP_mod_H_wat.parm title:
>
> STREAM s1 p1
> a1.traj
(box will be read from stream)
> a2.traj;
stream: opening a2.traj
Segmentation fault
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Received on Wed Oct 15 2003 - 11:53:01 PDT
