Dear AMBER community!
First: i'm a sys admin, not a power user of amber...
Second: sorry for my english.
The error we have is (ambertools 1.4, amber 11 both with patch on linux
centos 5.5 64bit system - 2 amd opteron 4 core, compiled with gnu and
openmpi):
Use of uninitialized value in concatenation (.) or string at
/amber/amber11/src/mm_pbsa/mm_pbsa_createinput.pm line 596.
Use of uninitialized value in concatenation (.) or string at
/amber/amber11/src/mm_pbsa/mm_pbsa_createinput.pm line 596.
Use of uninitialized value in concatenation (.) or string at
/amber/amber11/src/mm_pbsa/mm_pbsa_createinput.pm line 596.
/amber/amber11/bin/sander -O -i pbsa_com.in -o pbsa_com.1.out -c
./snapshot_com.crd.1 -p ./c_Q635A.prmtop not successful
For details see:
http://ambermd.org/Questions/mm_pbsa.html#pbsa_command_not_successful
If comment out the line:
596c596
< print OUT " ipb = ${ipb}, inp = ${inp}, dielc =
${dielc},\n";
---
> #print OUT " ipb = ${ipb}, inp = ${inp}, dielc =
${dielc},\n";
the program start but at the last step of the complex energy calculation
the output is freeze but the job still running.
Thanks in advance,
Andrea
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Received on Thu Jun 03 2010 - 09:00:10 PDT
