>Hello, someone could suggest me references >which discusses the difficulty of obtaining >values for diffusion coefficients in agreement >to the experimental values? For water that >is well known, but I do not know of any >reference that discusses this topic >Thanks
Hi, There's a bunch of papers discussing diffusion constants reproducibility. Just look for ones describing the force field models you use. Experimental diffusion constants are often listed there. Vitaly -- Vitaly V. Chaban, Ph.D. (ABD) School of Chemistry V.N. Karazin Kharkiv National University Svoboda sq.,4, Kharkiv 61077, Ukraine email: cha...@univer.kharkov.ua,vvcha...@gmail.com skype: vvchaban, mob.: +38-097-8259698 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
