[email protected] wrote:
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.
So all you did was change the water model? That would certainly explain it,
since SPC/E is a 3-point model, and TIP4P has 4 sites. Otherwise:
http://www.gromacs.org/Documentation/Errors#Number_of_coordinates_in_coordinate_file_does_not_match_topology
-Justin
Thanks
Bipin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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