[gmx-users] Variable (sinusoidal) acceleration for acc_grp

Jon jon.ellis at utoronto.ca
Thu Sep 29 21:05:25 CEST 2005

Hello gmx-ers

I wish to simulate a moving surface (alkane chain monolayer) in contact 
with a protein and spc-water. So I will define these in acc-grps in 
the.mdp file.

However, I want the acceleration to vary with time (ie sinusoidal). Can 
I do this with acc-grps/accelerate? Or do I have to modfiy the source 
code? If I need to modify the code, which programs/routines do I need to 

Any help would be appreciated, or better yet, if anyone has done this 
before, it'd be great to hear from you.

Jon Ellis

Jon Ellis
PhD Candidate, Thompson Group
Institute of Biomaterials and Biomedical Engineering/Dept of Chemistry
University of Toronto
LM147 - (416) 978-6568
jon.ellis at utoronto.ca

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