On 10/6/13 12:47 AM, hasthi wrote:
Dear GROMACS users,
I have been trying to simulate protein of
my interest in lipid bilayer(POPC) . I am following the tutorial of KALP-15
in DPPC. When I try to minimise the system after generating
system_inflated.gro. I get a fatal error from grompp which reads invalid
line in system_inflated.gro.
I am trying to follow the tutorial KALP15 in DPPC for lipid bilayer
simulation. When I minimise the system after generating
system_inflated.gro, I get a fatal error as given below.
Fatal error:
Invalid line in system_inflated.gro for atom 6439:
25.67360 25.77400 6.59650
25.67360 25.77400 6.59650 (This is the box vectors which comes in the
system_inflated.gro).I am clueless about this error.
What might be the probable reason for this error?? Thanks in advance for
the suggestions.
You have constructed system.gro incorrectly such that it specifies the wrong
number of atoms on the second line. grompp is still looking for atoms when it
encounters the box vectors (end of the file).
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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