sphingosine topology and parameter files

From: Capponi, Sara (Sara.Capponi_at_ucsf.edu)
Date: Mon Aug 23 2021 - 12:22:20 CDT


I'd like to perform simulations of a viral capsid protomer associated with the sphingosine pocket factor, but I am having troubles to find/generate the parameter and topology files of the sphingosine. I am trying to use ParamChem to obtain those files, but it has been running for 3 days without producing any output file. I also tried CHARMM-GUI but it is giving me problems too.

Has anyone already carried out simulations of sphingosine? If so, I will be very grateful if he/she is willing to share the files.



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