[gmx-users] Pressure in gromacs

[Sushma Yadav]

Dear all,

I want to apply pressure on a graphene sheet(which acts as a piston). I had
used  acc_grps   =  GRA and accelerate = 0.0 0.0 0.2 (nm/ps2).(GRA is the
graphene residue group containing 416 carbon atoms.)
Will the total pressure on the sheet will be P=F/A where F= *(*number of
carbon atoms(=416) *mass of Carbon atom *)** acceleration(=0.2)*)* ,and, A=
area of the graphene sheet.
(with taking care of proper units).

I am not sure about the pressure application in gromacs. If I am doing
wrong then how can it be done if someone could help me, I will be grateful.
Please do help me in this regard.
I will be highly thankful.


*With Best regards,*

*Sushma*