AMBER Archive (2009)

Subject: [AMBER] Error: unable to find mopac charges in mopac.out

From: Rilei Yu (yulaomao1983_at_yahoo.com.cn)
Date: Tue Oct 20 2009 - 00:34:34 CDT

Dear Amber Users,

When i tried to use antechamber, I found the errors as following:
rileiyu_at_imb09-02795:~/model/a9-a10-min/single$ $AMBERHOME/exe/antechamber -i sustiva.pdb -fi pdb -o sustiva.mol2 -fo mol2 -c bcc -s 2
Running: /home/rileiyu/amber10/bin/bondtype -j full -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac

Running: /home/rileiyu/amber10/bin/atomtype -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff

Total number of electrons: 160; net charge: 0

Running: /home/rileiyu/amber10/bin/mopac.sh
ln: creating hard link `FOR005': File exists
Error: unable to find mopac charges in mopac.out

Before I used AMBER9, there was no such errors. I even searched the mail-list, but my problem has been solved still. My machine is LINUX, Ubuntu.

Thanks for your help!

Rilei Yu

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