Your electrons.dat seems OK, except maybe for the lack of blank spaces? Try
OW = 8 etc. Regards. Pedro. 2007/9/4, Shanshan Qin <[EMAIL PROTECTED]>: > > 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. > > _______________________________________________ > gmx-users mailing list [email protected] > 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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
_______________________________________________ gmx-users mailing list [email protected] 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
