gmx_pme_error now uses at most all charges for the self error estimate (even for...
commit62160b26873484a2c83d8c7a4e38d84b5e38c8d5
authorCarsten Kutzner <ckutzne@ckutzne.mpibpc.intern>
Mon, 20 Sep 2010 11:03:26 +0000 (20 13:03 +0200)
committerCarsten Kutzner <ckutzne@ckutzne.mpibpc.intern>
Mon, 20 Sep 2010 11:03:26 +0000 (20 13:03 +0200)
tree5c31e2fa17141507fe454cd9271e6a24aafc1045
parent21e8a327fea7473f7ec9ba7cb04e86a0a5b3ef4b
gmx_pme_error now uses at most all charges for the self error estimate (even for -self values > 1)
src/tools/gmx_pme_error.c