version 1.22 | version 1.23 |
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{{\tt off}} | {{\tt off}} |
{If both {\tt switching} and {\tt vdwForceSwitching} are set to {\tt on}, | {If both {\tt switching} and {\tt vdwForceSwitching} are set to {\tt on}, |
then CHARMM force switching is used for van der Waals forces. | then CHARMM force switching is used for van der Waals forces. |
{\bf LJcorrection as implemented is inconsistent with vdwForceSwitching.}} | } |
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%\item | %\item |
%\NAMDCONF{elecswitchdist}{distance at which to activate switching function for %electrostatic calculations (\AA)}{positive decimal $\leq$ {\tt eleccutoff}} | %\NAMDCONF{elecswitchdist}{distance at which to activate switching function for %electrostatic calculations (\AA)}{positive decimal $\leq$ {\tt eleccutoff}} |
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implementation are slightly different due to the use of a different | implementation are slightly different due to the use of a different |
switching function). Periodic boundary conditions are required to make | switching function). Periodic boundary conditions are required to make |
use of tail corrections. | use of tail corrections. |
{\bf LJcorrection as implemented is inconsistent with vdwForceSwitching.}} | } |
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\end{itemize} | \end{itemize} |
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