[gmx-users] electrons.dat for g_density

[David van der Spoel]

Shanshan Qin wrote:
> 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.

remove = sign
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se