Hi all, stopping antechamber
I am using antechamber for my ligand molecule. After using following
command,
antechamber -i lig.pdb -fi pdb -o lig.mol2 -fo mol2 -c bcc -s 2
I encountered with following lines for long time:
--------------------------------------------------------------------------------
Welcome to antechamber 17.3: molecular input file processor.
acdoctor mode is on: check and diagnosis problems in the input file.
-- Check Format for pdb File --
Status: pass
-- Check Unusual Elements --
Status: pass
-- Check Open Valences --
Status: pass
-- Check Geometry --
for those bonded
for those not bonded
Status: pass
-- Check Weird Bonds --
Status: pass
-- Check Number of Units --
Status: pass
acdoctor mode has completed checking the input file.
Info: Total number of electrons: 520; net charge: 0
Running: /home/katouzian/Desktop/Ambertools/AmberTools18/amber18/bin/sqm -O
-i sqm.in -o sqm.out
--------------------------------------------------------------------------------
lig.mol2 file was not created. It seems that the antechamber has been
stopped.
How to resolve that?
lig.pdb file in in following link:
https://1drv.ms/f/s!AveJH4Y30cH0rEU08meMh0EEfQde
Best,
Andrew
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Received on Fri Jun 28 2019 - 09:00:03 PDT
