Acetaldehyde Dihedral Parameters

From: Kevser Göçmen Topal (kevser_at_boun.edu.tr)
Date: Wed Jun 06 2007 - 10:33:14 CDT

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      Hello,

      In the stream file "topar_all22_prot-aldehydes.str" dihedral
parameters for "aldhyde proton-carbonyl carbon-methyl carbon-methyl proton"
are missing.

      MD run of my system crashes with error message "FATAL ERROR: CAN'T
FIND DIHEDRAL PARAMETERS FOR HR1 C CT3 HA" .

      Does any one have an idea to deal with this problem?

      Thanks in advance.

      Best regards,

Kevser Göçmen Topal

• Next message: Stephen Hicks: "Re: Water molecules inside protein?"
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• In reply to: Nicholas M Glykos: "Re: extracting waters from DCD"
• Next in thread: L. Michel Espinoza-Fonseca: "Re: Acetaldehyde Dihedral Parameters"
• Reply: L. Michel Espinoza-Fonseca: "Re: Acetaldehyde Dihedral Parameters"
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