Dear all, While suing CGENFF server for " *.str " file generation, Few of the penalties were found to higher than 50. How to do validation/optimization.? Is there any recommended softwares / servers available for
* " extensive validation / optimization." or any standard procedure available to do validation / optimization ?The *.str file also contains the following message.* ------------------------------------------------------------------------------------------------------------ ! "penalty" is the highest penalty score of the associated parameters. ! Penalties lower than 10 indicate the analogy is fair; penalties between 10 ! and 50 mean some basic validation is recommended; penalties higher than ! 50 indicate poor analogy and mandate extensive validation/optimization. ------------------------------------------------------------------------------------------------------------- -- 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.
