AMBER: antechamber test

From: mathew k varghese <mathew_kvarghese.yahoo.co.in>
Date: Sun, 8 Aug 2004 13:31:22 +0100 (BST)

Sir,
I have some problems with antechamber test.
When make test command is given an error message is
returned.
The message obtained is
 running /usr/local/amber7/exe/mopac.sh
 ANTECHAMBER_MUL.MOP, ANTECHAMBER_MUL.OUT
 unable to find mopac charges in ANTECHAMBER_MUL.OUT
 program error .
The ANTECHAMBER_MUL.OUT file created is empty.

I have run the antechamber program with pdb data as
input and the out put file format is prepi.
prep file is created but I cannot load the file into
xleap.

How can I create the prmtop and inpcrd file from a
data obtained from pdb?

Thanking you,
Mathew K Varghese.

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Received on Sun Aug 08 2004 - 13:53:00 PDT
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