[gmx-users] simulating large bilayer systems

[Anuj Ray]

Anuj Ray
12:07 PM (2 minutes ago)
to gmx-users
Sir,

Since the array size of .gro/.pdb file for atom number is not greater than
5 digits, that's why if my system has >= 100000 atoms then, it shows that
no. of coordinates mismatch in .gro and .top file. Although the file
corrected_wat_DMPC_18_32.pdb has 153216 coordinates, i get the following
error.

Command line:
  gmx grompp -f minim.mdp -c corrected_wat_DMPC_18_32.pdb -p dmpctopol.top
-o em.tpr

Fatal error:
number of coordinates in coordinate file (corrected_wat_DMPC_18_32.pdb,
99999)
             does not match topology (dmpctopol.top, 153216)

Can you please suggest me the solution to this problem ?

Regards
Anuj Ray