[gmx-users] Polymerization in gromacs

이영규 monsterplank at gmail.com
Wed Apr 10 16:12:41 CEST 2019

Dear users,

I am currently having trouble with polymerization, joining the nearby atoms
if they are within the polymerization distance. My system consists of 2
monomers. The procedure what I did was that first put monomers in the box
and equilibrate it by extending box size. After I get the final box size
and equilibrate the system, I have to connect monomers. This point is what
I am stuck and here's my question.

Q. Is there any command or procedure that I can do with gromacs about the
polymerization? If not, does anyone let me know how to do or the software
doing this polymerization?

Thanks in advance

Yeongkyu Lee

M.S student

Department of Physics

501, Jinjudaero, Jinju, Gyeongnam
52828, Korea

Email: monsterplank at gmail.com

Phone: +82-10-8771-2190

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