Dear Sir/Madam,
I tried to do the MM/GBSA for a protein/complex, but the following error
message happen all the times:
/workstation/nmode -O -i nmode_com.in -o nmode_com.1.out -c
sanmin_com.1.restrt -p ../complex3.prmtop not
running properly_nm.log" 50L, 1175C
And the log file stop at the following step:
>>>Calculating energy / entropy contributions
Calc contrib for ./1K4T_CPT1_md6to17_com.crd.1
Calc MM/GB/SAS
Could you mind to teach me the meaning of these message? and how can I solve
it?
Best regards,
Annie
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Received on Wed May 23 2007 - 06:07:47 PDT
