[gmx-users] Does GROMACS supports ab initio molecular dynamics simulations?

lxj2586 lxj2586 at qq.com
Wed Oct 18 14:21:37 CEST 2017

Dear GMX Users,
 I would like to simulate the interactions between graphene oxide sheets and cations, which needs to consider the electronic behavior. Therefore, I plan to use ab initio MD (AIMD) simulations. Could anyone tell me whether GROMACS can do AIMD?
 Many thanks for your help!
   Xujun LIANG, PhD
 School of Environment
Jinan University
Guangzhou 511443
Guangdong Province
P.R. China

 Best wishes to you!!

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