[gmx-users] Making Polyamide membrane itp file

이영규 monsterplank at gmail.com
Mon Feb 18 17:32:49 CET 2019

Dear gromacs users,

These days, I am working on Polyamide membrane osmosis. And I am struggling
with making a topology file. I've read a paper " *DOI: *
10.1021/acs.jpcb.6b06560 " . The author provides pdb file for the
constructed membrane in supporting information section on the webpage. But
to do simulation, it is necessary to make "itp file. However, I don't know
how to make the file. I read the instruction in "
http://www.gromacs.org/Documentation/How-tos/Polymers", but still I am
lost. Please give me a hand!!

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

More information about the gromacs.org_gmx-users mailing list