[gmx-users] Analyzing Desmond trajectories using GROMACS tools

zeineb SI CHAIB zeineb-14 at hotmail.com
Mon Mar 6 16:16:48 CET 2017

Dear Justin,

Thank you very much for your help and clarifications.

I have a question please:

I used OPLS-3 force field when running my simulations with Desmond, which is absent in GROMACS 5.1.3
In order to generate the topology (protein and POPC), I guess I have to work with the same force field in GROMACS, OPLS-3.

There is differences between OPLS3 and the OPLS that is implemented in GROMACS and I'm wondering if I can choose the latter when generating the topology and the rtp file for the analysis of my trajectories. May I have your opinion please?

Thank you in advance for your help.

Best regards.


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