On 09/21/2012 10:48 AM, francesco oteri wrote:
Hi,
because g_saltbr calculates the data regarding any charge-charge
interaction ( neg neg, neg pos, pos pos).
Small problem: every atoms (C,H,S,P...) has a charge so the outputs
contains the distances among al the
n*(n-1)/2 atom couples!!!!
Francesco
Hello :
thank you very much for kind reply.
Is it possible simple restrict the calculation to protein sidechain?
thank you very much
best
Albert
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