[AMBER] mmpbsa error

From: Alice Wang <compu.chem.w.gmail.com>
Date: Mon, 8 Nov 2010 16:46:29 +0800


I had use amber10 (ambertool1.2) to calculate the mmpbsa.

In cal. the binding energy, the error is

Use of uninitialized value in concatenation (.) or string at
/home/program/amber10/src/mm_pbsa/mm_pbsa_calceneent.pm line 191.
Can't exec "-O": No such file or directory at
/home/program/amber10/src/mm_pbsa/mm_pbsa_calceneent.pm line 197.
         -O -i sander_com.in -o sander_com.1.out -c
../snapmd1/snapshot_com.crd.1 -p ../com.top not successful

[1]+ Exit 2 mm_pbsa.pl mm_pbsa.in

I had read the just patch the amber10 and ambertool1.2 patches.

Before, mm_pbsa cal. is right.......
I had install ambertool1.4, but find my system is too old. I come back to
amber10/ambertool1.2, and patched the fixes, then get this errors

any advices, thanks very much!

Alice Wang
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Received on Mon Nov 08 2010 - 01:00:03 PST
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