I want to calculate msd for cations and anions seperatly for my two regions ,but for calculating msd i can specify one group at a time,in that case how i can define
cations+anions in wall region & cations+anions in bulkregion??
how should i declare the groups specifying both region and type???
region bulk block 46 70 0 50 -12 42
region wall block 80 120 0 50 -12 42
group wall region wall
group bulk region bulk
group cation type 1 2 3 4
group anion type 8 7
compute mymsd1 wall msd com yes
fix mymsd1 wall ave/time 1 1 500 c_mymsd1[4] file wall.msd
compute mymsd2 bulk msd com yes
fix mymsd2 bulk ave/time 1 1 500 c_mymsd2[4] file bulk.msd
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I want to calculate msd for cations and anions seperatly for my two regions
,but for calculating msd i can specify one group at a time,in that case how
i can define
cations+anions in wall region & cations+anions in bulkregion??
how should i declare the groups specifying both region and type???
please study the documentation for the group command more carefully.
the solution is very obvious. look for "intersect".
axel.