Jennifer Casey wrote:
Hello again,
When I was working through your tutorial, I noticed the following
statement under pull = umbrella: "IMPORTANT: This procedure is not
umbrella sampling. I used a harmonic potential.For the purposes of
generating initial configurations for umbrella sa
Hello again,
When I was working through your tutorial, I noticed the following statement
under pull = umbrella: "IMPORTANT: This procedure is not umbrella
sampling. I used a harmonic potential.For the purposes of generating
initial configurations for umbrella sampling, you can set pull = co
Thanks Mark.
What I did I copied gmx from one of the servers, in which it was installed
paralley.
Will have a look at your suggestions, if I get into trouble.
Chandan
--
Chandan kumar Choudhury
NCL, Pune
INDIA
On Sat, Feb 13, 2010 at 10:31 AM, Mark Abraham wrote:
> On 13/02/10 15:29, Chandan
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