From: Reuter Nathalie (
Date: Mon Dec 03 2001 - 03:20:45 CST

Dear all,

I am a new user of NAMD (I used Charmm til now) and I try to simulate
boxes of mixed solvent (mixture of water and trifluoroethanol-TFE at
first). I would like to 'wrap' the TFE molecules at the end of each
simulation but it seems that I can 'wrap' only the water molecules with
the 'wrap water' option in the configuration file. Is there in NAMD such
an option for other kind of particles than water ? Or should it be added
in the code ? If it is the case, I would be more thankful if you could
indicate me in which source file.

Thank you for your help,

Nathalie Reuter

Nathalie REUTER, PhD
Faculte de medecine Xavier Bichat
16, rue Henri Huchard
BP 416
75870 PARIS Cedex 18
tel : (33)
fax : (33)