[AMBER] nmode_com.96

From: ¸ßº¬Â¶ <gaohanlu95.163.com>
Date: Wed, 13 Mar 2019 16:24:58 +0800 (CST)

Dear All,
There is something went wrong when i run mm_pbsa.pl. This is the error reported, /home/icms/Application/amber18/bin/mm_pbsa_nabnmode snapshot_com.pdb.96 ./COM.prmtop "ntpr=50, nsnb=999999, cut=999., diel=C, gb=1, rgbmax=999., gbsa=1, surften=0.005, epsext=80.0, kappa=0" 100 0.1 > nmode_com.96.out 2>&1 not running properly
And then, i check my nmode output file and i can't understand the error message created by the NAB nmode module of AMBER.
I would really appreciate your help!
Thanks in advance!
Gao Hanlu
 

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Received on Wed Mar 13 2019 - 01:30:02 PDT
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