On 1/4/16 4:27 AM, soumi wrote:
Respected Sir,
I am new user of gromacs. When I use the following command
gmx grompp -f ions.mdp -c 1aki_solv.gro -p topol.top -o ions.tpr
I get the following error :Number of coordinates in coordinate file does not
match topology file.
Please tell me how can I correct the number of coordinates in gromacs?
http://www.gromacs.org/Documentation/Errors#Number_of_coordinates_in_coordinate_file_does_not_match_topology
Since you've (presumably) already solvated the system, you probably forgot to
let genbox adjust your topology for you via the -p option. Based on your file
naming, I assume you're following my lysozyme tutorial, which lays everything
out exactly, so be sure you're using the exact commands and you know what each
option is doing.
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
[email protected] | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul
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