[gmx-users] the study of concentration effect in gromacs

[elham tazikeh]

Dear Tsjerk

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
(0.5*0.5*0.5  nm3)?
or for instance, i simulated on a system using *2i30* pdb file
(Aspirin+Salicilic Acid)
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?

cheers