[gmx-users] octane

[Anton Feenstra]

Hi,


I'm wondering whether octane would fall in the 'small hydrocarbon'
regime, where the standard GROMOS97 forcefield still holds, or
whether I could better use Erik Lindahl's ffG43a2x 'extended' version
for long hydrocarbons... Any opinions on this?


-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Free University Amsterdam    |
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| (    ) | Dept. of Biophysical Chemistry - University of Groningen  |
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