[gmx-users] Normal mode analysis error

[rahul dhakne]

Dear all,


I am trying to perform the Normal Mode Analysis protein in water.
Here is the .mdp file I am using:


integrator          = nm                    ; time step
nsteps              =  100000                  ; number of steps
nstlist             =  10                        ; update pairlist
ns_type             =  grid                     ; pairlist methodi
coulombtype         =  PME
nstxtcout           =  1.0
cutoff-scheme       = Verlet
rcoulomb            =  1.0
rvdw                =  1.0
ewald_rtol          =  1.0
rlist               =  1.0                      ; cut-off for ns
constraints         = none
define              = -DWHATEVER



And I get the error message:

Fatal error:
Constraints present with Normal Mode Analysis, this combination is not
supported.


Any suggestions will be very welcomed.

 Thanking you in advance!


-- 
-
Rahul