Dear all,
Thanks for solving lot of problem of me in doing membrane
membrane protein simulation. Now I have a one problem I want to add ion to
the my system by genion command
for this i am following justin's tutorial but in the genion step when i
have put the command like this -
genion -s ions.tpr -o compsol-ions.gro -p topol1.top -pname NA+ -nname CL-
-np 1
and I choose the 0 for adding ions to the system then I have got the
error like this -
Opening library file /usr/local/gromacs/share/gromacs/top/aminoacids.dat
Group 0 ( System) has 598751 elements
Group 1 ( Protein) has 9902 elements
Group 2 ( Protein-H) has 7778 elements
Group 3 ( C-alpha) has 1000 elements
Group 4 ( Backbone) has 3000 elements
Group 5 ( MainChain) has 4000 elements
Group 6 (MainChain+Cb) has 4922 elements
Group 7 ( MainChain+H) has 4961 elements
Group 8 ( SideChain) has 4941 elements
Group 9 ( SideChain-H) has 3778 elements
Group 10 ( Prot-Masses) has 9902 elements
Group 11 ( Non-Protein) has 588849 elements
Group 12 ( DMPC) has 5520 elements
Group 13 ( SOL) has 583329 elements
Group 14 ( Other) has 588849 elements
Select a group: 0
Selected 0: 'System'
-------------------------------------------------------
Program genion, VERSION 4.0.3
Source code file: gmx_genion.c, line: 443
Fatal error:
Your solvent group size (598751) is not a multiple of 8
-------------------------------------------------------
can any suggest me what should I do to solve this problem . I am doing first
time all these these things so if anyone can suggest me something I will be
really thankful for him/her.
Thanks a lot.
Nitu Sharma
School of life sciences
Jawaherlal nehru university
New delhi, india
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