ETH Zurich
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
[gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of
wangshaof...@iae.ac.cn [wangshaof...@iae.ac.cn]
Sent: Monday, February 11, 2019 8:06 AM
To: gromacs.org_gmx-users
Subject: [gmx-users] help
Dear all,
I am trying to calculate mean square relative displacement (MSRD), debye-waller
factor, of single or multiple scattering of EXAFS spectra. Can any expert
introduce how to calculate them using gromacs tools or some other tools?
Any help is appreciated.
Best,
Shaofeng Wang
Ph.D
