Amber potentials for NAD+, ATP

Ray Oomen roomen at hookup.net
Wed May 24 23:24:26 EST 1995


Hello; I am looking for partial charge and other potential parameters
for NAD+ and ATP for use with the Amber forcefield. I am not too 
familiar with Amber, but two recent references (within the last five 
years) state they've done the partial charge calculations with AMPAC 
(and presumably interpolated the rest), but don't describe their 
results. So, no comparisons between papers or methods is possible. 
Any suggestions ? Thanks for any help,

Ray



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