Dear gromacs community, How does the gromacs calculate Intra molecular force correction (To correct the unwanted intra molecular force in Fourier space especially for rigid molecules)? I couldn't find that information listed anywhere in the manual. I could find some details from "Publications by Thierry Matthey- PhD thesis". But I couldn't find gromacs citing it and hence just curious to know is there any other reference which gromacs uses? I am also having a hard time to locate intramolecular force correction in the source code. I tried the mail archive and Google search but couldn't exactly locate/find anything helpful. Pardon me if this question was asked earlier and answered.
Sumith Mechanical Engineer, Syracuse University. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
