Polymer topology

User discussions
1

GROMACS version: 2019.3
GROMACS modification: Yes/No
Here post your question

I used GROMACS through Compute Canada account. I am trying to regenerate results from one of a published manuscript. I could not solve the topology for one of the polymers, especially opls-AA number. I found only a few errors and can’t find the structure name (monomer) even.

Please look and help me to figure out the structure name or opls number. I can’t upload itp, top, and pdb files here. Please let me know how I can share with you.

2

You can upload it on a shared drive and shared the link here

3