I notice the dihidral information in the md.out file.
However, I found that I use the process_mdout.perl to process my md.out
file, it doesn't generate information for dihedral.....
thank you very much
ALBERT
On 03/24/2013 04:17 PM, David A Case wrote:
> On Sun, Mar 24, 2013, Albert wrote:
>> >
>> > I am trying to use aMD for my sytem, and I read from the Amber 12
>> >manual in page 160. It seems that we have to obtain information of
>> >"average dihedral" and "average EPTOT" from previous MD . I search the
>> >whole manual, and didn't find any information how to obtain this two
>> >parameters for our MD simulations.
> Look at the bottom of the mdout files from earlier runs.
>
> ...dac
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Received on Sun Mar 24 2013 - 10:00:04 PDT
