Dear Amber users,
I am using mm_pbsa to analysis binding energy of a ligand and protein. I run
into this problem as below with the mm_pbsa analysis of my MD trj file from
200-300 ps.
ERROR: GB program output is missing
check snapshot # 1 in file
test1_GB_new_protein.all.out
correct and rerun mm_pbsa_statistics<in>out
Here is no GB output in the snapshot #1. It is OK if I do mm_pbsa on 100-200
ps trj file of the same MD simulation. Is it sth. wrong with the MD
simulation or I need to change GB parameter?
Thanks,
Wentao Fu
Received on Tue Sep 17 2002 - 08:35:59 PDT
