[gmx-users] Solvent accessbility of ligand in RNA

raja raja_28 at fastmail.us
Tue Mar 21 04:22:28 CET 2006

     I have simulated RNA, and later docked ligand to the ensemble of
     average structure of RNA during some desired
time steps. Now I wish to compute the solvent accessbility of ligand in
the active site of a RNA. Is there a way
within the gromacs to do it either directly or indirectly. If not within
GROMACS , kindly give me the direction to do the same in any of
publicaly avilable software.

With thanks !
  raja_28 at fastmail.us

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