[gmx-users] Generating topology for Tetrahydrofolate within CHARMM ff
zeineb SI CHAIB
zeineb-14 at hotmail.com
Mon May 2 18:58:06 CEST 2016
Dear gmx users,
I'm working on simulating a protein with two cofactors (hem and tetrahydrofolat) and its substrate. I'm in the first stage; generating topology. I choose CHARMM27 as a force field and I'm little bit confused on how to generate tetrahydrofolate's topology.
I tried the online tool of SwissParam but it doesn't work, although it worked with the substrate ( an amino-acide).
Failure message: "Unfortunately, topology and parameters were not successfully generated for THG."
Is there any other tools that I can use? Are they reliable? In other words: what are my options (pros and cons of each server/method?).
Thank you in advance for your help.
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