Hi. This command doesn't work on my machine:
antechamber -i Methane.mol2 -fi mol2 -o MethaneWithNewCharges.mol2 -fo mol2 -c 6
Output:
Running: hc
sh: hc: command not found
Error: cannot run " hc
" of mul() in charge.c properly, exit
Input file (Methane.mol2):
.<TRIPOS>MOLECULE
*****
5 4 0 0 0
SMALL
GASTEIGER
.<TRIPOS>ATOM
1 C1 1.0576 0.0243 0.0812 C.3 1 LIG1 -0.0776
2 H1 2.1494 0.0335 0.0502 H 1 LIG1 0.0194
3 H2 0.6694 -0.3321 -0.8756 H 1 LIG1 0.0194
4 H3 0.6905 1.0361 0.2686 H 1 LIG1 0.0194
5 H4 0.7214 -0.6389 0.8805 H 1 LIG1 0.0194
.<TRIPOS>BOND
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
I've also had trouble calculating CM1 and CM2 charges.
AmberTools 1.5 was used with all of the bug fixes at the time of writing.
Amber 11 is not installed.
I am running CentOS 5.5 x86_64 and compiled AmberTools using gcc compiler version 4.1.2 (Red Hat 4.1.2-48).
"make test" was run and all tests were passed (except for an Nmode test which requires sander to be installed).
Thanks.
Joel
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Received on Sat Jun 18 2011 - 17:30:03 PDT
