[gmx-users] the study of concentration effect in gromacs
elham.tazikeh at gmail.com
Sat Apr 4 20:36:41 CEST 2015
thanks for your advice
you mean , if i do my simulation in cubic box (1*1*1 nm3)...
Now, for twice of concentration, i should simulate for example in cubic box
or for instance, i simulated on a system using *2i30* pdb file
that including 2 molecules Aspirin with Salicilic Acid.
for increasing the concentration of substrate in this system, how can i
insert 2 molecules Salicilic Acid?i must insert the coordinate of Salicilic
Acid in my pdb file, again or not?
More information about the gromacs.org_gmx-users