[gmx-users] Gauche dihedrals fraction

Sławomir Stachura stachura.slawomir at gmail.com
Tue Jun 7 15:49:23 CEST 2011


Hi,
I have simulated fully hydrated POPC membrane for 50 ns and now I am analysing if it's in equilibrated state. One of the needed by me parameters is fraction of gauche dihedrals in acyl chains.  I have tried g_angle, but it only shows fraction of trans dihedrals. So is there possibility to  calculate this parameter from trajectory? 
Best wishes,
      Slawomir


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