On Thu, Nov 05, 2015, V. Kumar wrote:
>
> I am trying to minimize my peptide in tip3pbox as demonstrated in this link
> http://ambermd.org/doc6/html/AMBER-sh-4.2.html
Oooohhh, this is evil. Amber version 6 was released in the last century (not
to mention the last millenium!) I guess it is some tribute to our work on
backwards compatibility that relatively little has changed for more or less
standard inputs.
It's not clear what version of sander you are using. Current versions have no
trouble with multiple lines in the title section.
(I've removed these old instructions...you'll have to use the WayBack machine
if you really need them....)
....dac
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Received on Thu Nov 05 2015 - 12:00:05 PST
