Re: C36 force field

From: João Ribeiro (jribeiro_at_ks.uiuc.edu)
Date: Tue Dec 11 2018 - 09:23:31 CST

Dear Ashkan,

you might be getting confused about what you can and can't do. In your
psfgen script, you can load more that one topology (or stream file) when
building your structure. Just repeat the command "topology
<topology/stream file>", like

"
..
topology top_all36_lipid.rtf
topology top_all36_prot.rtf
..
"

You will only need the parameters to actually run the simulation.

I hope this helps

Best

João

On Tue, Dec 11, 2018 at 7:39 AM Ashkan Shekaari <shekaari_at_email.kntu.ac.ir>
wrote:

> Dear experts,
>
> Is there any CHARMM36 all-hydrogen parameter file for both proteins and
> lipids written in a single file?
>
> For prot, lipid, and na, there are three separate files, and therefore, I
> cannot generate the psf file of my protein.
>
> --
> Regards,
> Ashkan Shekaari,
> Ph.D Candidate in Solid State Physics,
> K. N. Toosi University of Technology,
> Tehran, Iran
>
> --
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-- 
……………………………………………………...
João Vieira Ribeiro
Theoretical and Computational Biophysics Group
Beckman Institute, University of Illinois
http://www.ks.uiuc.edu/~jribeiro/
jribeiro_at_ks.uiuc.edu
+1 (217) 3005851

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