Hi users,
I have generated .gro file of protein by using .xtc file with trjconv
command after that i used pdb2gmx command for generating topology file without
any error. when I have inserted this protein into popc bilayer by using genbox
command i has deleted some of the water and popc molecules, these residues i
have mentioned in .top file but when i have used grompp command its showing
that
Fatal error:
Program grompp, VERSION 3.3.1
Source code file: grompp.c, line: 448
Fatal error:
number of coordinates in coordinate file (2hel_popc7.6.gro, 12882)
does not match topology (2hel_noH1.top, 12832)
The same system which is protonated state of protein simulating without
generated .gro file by using trjconv command its running fine, But above
mentioned system (unprotonated state) showing some fatal error
Couls you pls tell me some suggestion.
Thanks in advance_______________________________________________
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