On Tue, Nov 23, 2010 at 9:55 AM, <[email protected]> wrote: > J. Nathan Scott skrev 2010-11-23 17.35: >> Hello Gromacs users, >> >> I was wondering, have the AMBER 11 and/or AMOEBA force fields been >> implemented by anyone for use in Gromacs? The reason I ask is that we >> are very interested in trying some of our simulations using the AMOEBA >> force field but would like to stick with the Gromacs engine if at all >> possible. >> >> Thanks in advance for any insight you can provide. >> >> Best Wishes, >> >> ---------- >> J. Nathan Scott, Ph.D. >> Postdoctoral Fellow >> Department of Chemistry and Biochemistry >> Montana State University > > AMOEBA uses a type of point diopoles (iirc) that are not implemented in > gromacs. > > Cheers, > > -- > ----------------------------------------------- > Erik Marklund, PhD student > Dept. of Cell and Molecular Biology, Uppsala University. > Husargatan 3, Box 596, 75124 Uppsala, Sweden > phone: +46 18 471 4537 fax: +46 18 511 755 > [email protected] http://folding.bmc.uu.se/ >
Thanks for the confirmation of what I had already come to suspect, Eric. Best Wishes, -- ---------- J. Nathan Scott, Ph.D. Postdoctoral Fellow Department of Chemistry and Biochemistry Montana State University -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
