Dear Amber user,
I am doing the MM_PBSA of protein complex. In the step of Nmode calculation
(I did step by step), it finished the entropy calcuation for the
"xx_com.crd.x" but got problems with the receptor calcualtion and crashed at
"xx_rec.crd.1". Can I restart the MM_PBSA calcualtion without re-doing for
the "complex" ?
I notice the output file has already been generated for the finished complex
entropy calculation " xx_com.all.out", can I simply run the statistic to get
the entroy result for the complex? I checked the script
"mm_pbsa_statistics.pl", but can't figure out how to use it seperately.
I appreciate for your help.
Xin
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Received on Tue Apr 26 2005 - 17:53:00 PDT
