Hi Jian, Do you also need to change the source code to get a new potential function? I am also engaged in this job. DO you have any experience about this job?
Regards, Yang ________________________________________ From: [EMAIL PROTECTED] [EMAIL PROTECTED] On Behalf Of Jian Zou [EMAIL PROTECTED] Sent: Tuesday, October 21, 2008 7:24 AM To: [EMAIL PROTECTED]; [email protected] Subject: [gmx-users] modify bondfree.c and recompile Hi, If I only change some functional form in bondfree.c (the number of parameters are kept the same), can I just do "make mdrun" and "make install-mdrun" to recompile from the source? I cannot find the dependency between the source files and the Gromacs utilities (grompp and mdrun). I compare the tpr file generated before and after the change and they are the same. Therefore it seems to me that grompp does not read the formulation of bonded interactions, am I right? Thank you very much for the reply. Regards, Jian _______________________________________________ gmx-users mailing list [email protected] http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php _______________________________________________ gmx-users mailing list [email protected] http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
