[gmx-users] mdp file for local pressure

[Dallas B. Warren]

The error message explicitly tells you what is wrong:

"Expected 2 elements for wall_atomtype, found 0"

And looking in your .mdp file ...

;WALLS
; Number of walls, type, atom types, densities and box-z scale factor
for Ewald
nwall                    = 2
wall_type                = 9-3
wall_r_linpot            = -1
wall_atomtype            =
wall_density             =
wall_ewald_zfac          = 3

On the wall_atomtype line, you have defined zero elements and you should
have two.

Catch ya,

Dr. Dallas Warren
Department of Pharmaceutical Biology and Pharmacology
Pharmacy and Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at pharm.monash.edu.au
+61 3 9903 9167
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble
a nail.