Hello all. I worked with free energy calculations to obtain some information related with solvation and binding free energy, analizing two proteins and using amber94 force field. But, I have two questions.
1. When I tried to do a minization energy, I got the following message: WARNING 1 [file topol_B.itp, line 10531]: Some parameters for bonded interaction involving perturbed atoms are specified explicitly in state A, but not B - copying A to B Althoug I didn't have problems with that, is this correct for doing calculations with this warning message? 2. Otherwise, I'd like to calculate binding energy between the two proteins employing the same method. But I don't know if I can run my calculations with temperature value close to zero. doesn't it? I appreciate your support! -- Jorge R. Quintero Químico Universidad Industrial de Santander Bucaramanga, Santander - Colombia -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
