From chemistry-request@ccl.net Tue Apr 9 00:59:07 1991 Date: Tue, 9 Apr 91 00:24:55 EDT From: Shi Yi Yue To: chemistry@ccl.net Subject: Free Energy Calculation by MD Simulation with Periodic Box Status: R Hi, I will be very appreciated if someone can tell me how to use CHARMm (version 21.2) for the free energy calculation by MD simulation under the periodic boundary conditions. Thank you in advance! Shi-Yi Yue Biotechnology Research Institute | Phone: (514) 496-6338 6100 Royalmount Avenue | Fax: (514) 496-6232 Montreal Quebec Canada H4P 2R2 | E-mail: shiyi@bri.nrc.ca