Look at work on this by Donald Hamelberg, very relevant. I dont have the
reference right now.
On Sep 3, 2010 11:26 AM, "Jorgen Simonsen" <jorgen589.gmail.com> wrote:
Hi all,
I have a protein where there is a proline where I would like to observe the
cis/trans transition - to increase the sampling around the bond I would like
to REMD but as stated in the tutorial one has to be careful when using high
temperatures so I furthermore use the makeCHIR_RST to prevent strange
cis/trans aournd other bonds but I should remove the one for X-Proline that
I would like to study? I am very insecure on this issue and if I have
understood the tutorial correctly - thanks
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Received on Fri Sep 03 2010 - 09:00:03 PDT
