[gmx-users] Genion cannot read from input

2013-04-27 Thread Nathan Bullock
I am running genion neutralize the charge of my protein. I got an error that wasn't very descriptive Fatal error: Cannot read from input The part of the script that called this program read as follows /usr/local/gromacs-4.5.5/bin/grompp -f em.mdp -c filled_box.pdb -p protein_mod_filled5.top -o ions

[gmx-users] Re: Genion cannot read from input

2013-04-27 Thread Nathan Bullock
So I need to provide a group for the function genion, in the example you provided g-energy has several group names. Where do I find the group names for genion? - Graduate Student University of Iowa Cheatum Research Group -- View this message in context: http://gromacs.5086.x6.nabble.com/G

[gmx-users] Re: Genion cannot read from input

2013-04-27 Thread Nathan Bullock
I created a text file called choices with the number corresponding to the ions group. I then had the text file as an argument for the genion function. I still got the same input error. - Graduate Student University of Iowa Cheatum Research Group -- View this message in context: http://grom

[gmx-users] Re: Genion cannot read from input

2013-04-27 Thread Nathan Bullock
The useful part of the error file -f em.mdp Inputgrompp input file with MD parameters -po mdout.mdp Output grompp input file with MD parameters -c filled_box.pdb InputStructure file: gro g96 pdb