Dear amber users,
I am running mm_pbsa moldule for calculating binding free energy for my
protein with ligand. When I run mm_pbsa, it run well for complex and
receptor, when it comes to ligand, the program got terminated by complaining
the following:
../amber9/exe/pbsa -O -i pbsa.in -o pbsa_lig.8.out -c ./snapshot_lig.crd.8
-p ./oba2_nowat_leap.top not successful
Could some one tell me what might be the reason and do I need to rerun every
thing or is there any way I can continue from here for the rest of the
calculations.
Please let me know if I need to provide more info regarding the problem
mentioned above.
Thanks and Regards,
Ram.
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Received on Fri Apr 18 2008 - 21:16:30 PDT
