On 10/12/16 6:41 PM, Nash, Anthony wrote:
I've only been able to make contact with a colleague of the original author,
and they have been extremely helpful with suggestions but the values still lies
out range of that published.
Therefore, I was hoping for some useful suggestion from
I've only been able to make contact with a colleague of the original author,
and they have been extremely helpful with suggestions but the values still lies
out range of that published.
Therefore, I was hoping for some useful suggestion from individuals with more
experience than I in the guts
Hi all,
I¹m trying to fine tune the rdf of tip3p water molecules around a central
metal dummy molecule ("Force Field Independent Metal Parameters Using a
Nonbonded Dummy Model²), essentially a central metal (with vdw parameter
and -1 charge) covalently bonded to six Œdummy¹ atoms (no vdw
