[gmx-users] help for debye waller factor calcuations

Email: wangshaof...@iae.ac.cn Key Laboratory of Pollution Ecology and Environmental Engineering Institute of Applied Ecology Chinese Academy of Sciences China -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting

[gmx-users] how to calculate msrd using the tool of gromacs

Dear all,I want to calculate the debye waller factor ( or mean square relative displacement ) of single or multiple scattering of specific path using md configuration. Can some expert introduce how to calculate them using gromacs tools?Any help is appreciate,Best,ShaofengInstitute of applied