[AMBER] Antechamber error

From: Rana Rehan Khalid <rrkhalid.umich.edu>
Date: Thu, 21 Sep 2017 19:34:08 +0500

I use this command
antechamber -i name.log -fi gout -o name.prepi -fo prepi \
-c resp -s 2

this error i face kindly guide

acdoctor mode is on: check and diagnosis problems in the input file.
-- Check Format for Gaussian Output 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 --
/home/rehan/Downloads/amber16/bin/to_be_dispatched/antechamber: Fatal Error!
This molecule may have more than one unit.
       antechamber can only handle one unit. If the input is a single unit
       then the connectivity is wrong and the geometry may be bad.
       Please convert your molecule to a mol2 file via:
       antechamber -j 5 -at sybyl -dr no
       And then check your molecule with a visualization program;
       manually add missing bonds or delete unwanted bonds as appropriate.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Sep 21 2017 - 08:00:03 PDT
Custom Search