Dear all,
I'm trying to minimize a homotrimer of small coupounds in vacuum with
amber10 but it fails. the out file have only these lines:
-------------------------------------------------------
Amber 10 SANDER 2008
-------------------------------------------------------
and the processor continue to work at full charge (99%).
I used antechamber to create a prepin file and then a frcmod for the
monomer and I have any problem to launch a minimization step. So,
starting from these files, I created new prmtop and inpcrd files for a
trimer using xleap (I joined these files and the min.in script). On a
display, the complex is fine nevertheless the minimization fails.
Thanks in advance.
Best regards,
Baptiste
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Received on Wed Jan 18 2012 - 03:30:02 PST
