[gmx-users] creation coordinate file with special distance between system components
Atila Petrosian
atila.petrosian at gmail.com
Wed Mar 19 09:03:27 CET 2014
Dear all
My system contains protein and ligand. I know if I do MD simulation,
distance between protein and ligand will change. I want to have some
coordinate files (gro file) such that in each of coordinate files, distance
between protein and ligand be a special value.
For example,
coordination file number distance
------------------------------ -----------
1 0.05
2 0.1
3 0.15
4 0.2
.
.
.
98 4.9
99 4.95
100 5
Is there a tool in gromacs which do this issue?
I do not like use pull code.
Any help will highly appreciated.
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