On 11/27/12 4:31 AM, Shine A wrote:
Sir,
I am studying the dynamics of membrane proteins using KALP-15 in DPPC.
But during minimization (after shrinking), getting error like this.
Fatal error:
Invalid line in system_shrink26.gro for atom 8703:
6.4140 6.44350 6.59650.why this error?plz give me a solution to
overcome it.
The program is complaining that it is looking for an atom and finding box
vectors. That indicates a mismatch between the number of atoms (specified on
the second line of the .gro file) and the actual number of atoms.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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