Hello colleagues, Is it that the Generalized Born solvation model has been dropped, and that there is no replacement for it? I am not after free energy numbers. I would just like to carry out MD without a periodic boundary, and account for water effects using the Born model.
Thank you! Ling ( You can compare the last line of http://manual.gromacs.org/documentation/current/user-guide/mdp-options.html with http://manual.gromacs.org/documentation/2018/user-guide/mdp-options.html#mdp-value-implicit-solvent=GBSA ) Notice of Confidentiality: The information transmitted is intended only for the person or entity to which it is addressed and may contain confidential and/or privileged material. Any review, re-transmission, dissemination or other use of or taking of any action in reliance upon this information by persons or entities other than the intended recipient is prohibited. If you received this in error please contact the sender immediately by return electronic transmission and then immediately delete this transmission including all attachments without copying, distributing or disclosing the same. -- 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 [email protected].
