Dear gmx-users,I tried to analyse the electron density of pure water in a short
simulation, ( about 100 ps), I constructed the electrons.dat like this:
3
OW=8
HW1=1
HW2=1
However,the system displayed"invalid line in datafile at line 1". The system
contains only water,nothing else,and other function of g_density worked well in
this system. I think it must be due to the electrons.dat, is there someone here
kindly tell me where I am wrong?
Thanks in advance.
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