[AMBER] error in Resp

From: fateme haghighi <fateme.haghighi.hotmail.com>
Date: Wed, 17 Oct 2018 12:33:22 +0000

I am trying to build topology files but I have seen the following error when I use “antechamber -i tic.out -fi gout -o ICA.mol2 -fo mol2 -c resp -nc 0 -at amber ICA”.

I don’t know how should I solve the problem.

I use ubuntu 18 and ambertools 18.

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 --

   Status: pass

acdoctor mode has completed checking the input file.

Info: Bond types are assigned for valence state (16) with penalty (2).

Segmentation fault

/home/hana/Desktop/amber18/bin/to_be_dispatched/antechamber: Fatal Error!

Cannot properly run "/home/hana/Desktop/amber18/bin/resp -O -i ANTECHAMBER_RESP1.IN -o ANTECHAMBER_RESP1.OUT -e ANTECHAMBER.ESP -t qout".

Segmentation fault

Would you please help me to solve the problem?

Thank you

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Received on Wed Oct 17 2018 - 06:00:05 PDT
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