Hi, all, I am wondering if Gromacs functions can be called by some other codes. I know we get some library files and header files and we can write our own analysis tools.
But I still wonder to what extent the gromacs can be coupled to other codes. For example, can we just generate the topology and .gro and .mdp files ( we can write our own code to do that ), then call the the functions or procedures in Gromacs library to complete the MD simulation, and then call some functions to return the analysis results, such as density, viscosity, and etc. Thank you very much. Best Regards, Kai -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
