On Tue, May 29, 2012, ashley chen wrote:
>
> Error: cannot run "/app1/linux/amber10/bin/bondtype -j full -i
> ANTECHAMBER_BOND_ of antechamber.c properly, exit
>
> My project is to construct a series of alpha helices using GaussView and
> run MD simulations in AMBER.
Two points:
1. Using antechamber for peptides seems quite wrong: Amber has specialized
force fields for proteins and peptides that should perform much better than
the "general" terms coded into antechamber.
2. Use the acdoctor program when you encounter problems with antechamber.
....dac
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Received on Tue May 29 2012 - 05:00:03 PDT
