[gmx-users] modify bondfree.c and recompile

He, Yang yang.he at mavs.uta.edu
Tue Oct 21 23:50:30 CEST 2008

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?


From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] On Behalf Of Jian Zou [jianzou at gmail.com]
Sent: Tuesday, October 21, 2008 7:24 AM
To: gmx-developers at gromacs.org; gmx-users at gromacs.org
Subject: [gmx-users] modify bondfree.c and recompile


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.


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