[gmx-users] Problem in setup energy minimization step(grompp)
bipin.singh at research.iiit.ac.in
bipin.singh at research.iiit.ac.in
Mon Jul 26 07:44:29 CEST 2010
Hi all,
I am facing a problem when i tried the TIP4P water model
for the set up of energy minimization using grompp.
This error did'nt occur while using the spce model.
Fatal error:
number of coordinates in coordinate file (1.pdb, 31975)
does not match topology (1.top, 24795)
Please help me to rectify this problem.
Thanks
Bipin
More information about the gromacs.org_gmx-users
mailing list