Commit 3bfec89c authored by Alessia Vignolo's avatar Alessia Vignolo
Browse files

added 6xm4.xyzr and modified conf.prm

parent da8f531a
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......@@ -17,7 +17,7 @@ Example_Surface_Parameter = 2.0
################################ Grid params ##################################
# Grid scale
Grid_scale = 2.0
Grid_scale = 1.0
# Percentage that the surface occupies with respect to the total grid volume
# default value is 90.0; in the case of very small molecules (e.g. fullerene) keep more margin
......@@ -25,7 +25,8 @@ Grid_scale = 2.0
Grid_perfil = 90.0
# Input atoms xyzr file name
XYZR_FileName = 1vsz.xyzr
XYZR_FileName = 6xm4.xyzr
#XYZR_FileName = 1vsz.xyzr
#XYZR_FileName = 1crn.xyzr
############################## Internal maps ##################################
......
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