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 Thu Oct 18 2018 - 01:00:02 PDT
