Dear Gmx Users,
Do you know or can you suggest some results based on the comparison of
the force constant in Umbrell Sampling? Any literature?
As far as I understand when you use the same staring coordinates (from
the same pulling simulation) for windows but you just change the force
constant
On 7/3/12 8:41 AM, Steven Neumann wrote:
Dear Gmx Users,
Do you know or can you suggest some results based on the comparison of
the force constant in Umbrell Sampling? Any literature?
That would be lovely, but I've never seen such a thing. One could probably
write a book with all the
On Tue, Jul 3, 2012 at 2:04 PM, Justin A. Lemkul jalem...@vt.edu wrote:
On 7/3/12 8:41 AM, Steven Neumann wrote:
Dear Gmx Users,
Do you know or can you suggest some results based on the comparison of
the force constant in Umbrell Sampling? Any literature?
That would be lovely, but I've
It also depends in some cases strongly on the system.
I have a two-state system in which both states are rather narrow (doing
a normal pulling simulation, the end-to-end-distance seems nearly
constant). In these two regions one could use small force constants. but
both state are seperated by a
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