AMBER Archive (2005)

Subject: AMBER: umbrella sampling output question

From: caoch_at_cherry.bio.titech.ac.jp
Date: Mon Sep 12 2005 - 02:50:32 CDT


hello all:

  i did the umbrella samling example test of RNA duplex. after that i got "chi_vs_t"
and "fort.35" file . for WHAM analysing i need the values of the recation coordinate
from each time point in this trajectory. i think these informations should be in
the "chi_vs_t" file or "fort.35" file.(is it right?)
  these files both contain two columns. what are the detailed meaning of these coloumns
and how can I get the necessary informations for WHAM from these files?

  best whishes

                                                     caoch

  

-- 
caoch_at_cherry.bio.titech.ac.jp
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