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Dear amber user
As a part of sustiva tutorial (MD simulation of protein-drug interaction), I was able to generate sustiva.mol2 file.
Got an error while proceeding further (i. e, after executing ./tleap command) which is as follows
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> SUS = loadmol2 sustiva.mol2
Loading Mol2 file: ./sustiva.mol2
Reading MOLECULE named SUS
/data1/apps/amber/10/intel-mkl-openmpi/exe/tleap: line 8: 25824 Segmentation fault /data1/apps/amber/10/intel-mkl-openmpi/bin/teLeap -I/data1/apps/amber/10/intel-mkl-openmpi/dat/leap/prep -I/data1/apps/amber/10/intel-mkl-openmpi/dat/leap/lib -I/data1/apps/amber/10/intel-mkl-openmpi/dat/leap/parm -I/data1/apps/amber/10/intel-mkl-openmpi/dat/leap/cmd
$*
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looking forward for your help
With regards
Ramesh K V
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Received on Thu Dec 01 2011 - 20:30:03 PST
