[gmx-users] work in 4.5.5 but failed in 4.6.1
mailmd2011 at gmail.com
Wed Aug 28 19:21:10 CEST 2013
On 08/28/2013 07:07 PM, Justin Lemkul wrote:
>> WARNING 2 [file helix.itp, line 1]:
>> Too few parameters on line (source file toppush.c, line 1501)
> Looks concerning - what's line 1?
here is the initial lines:
; position restraints for part of C-alpha of Protein
[ position_restraints ]
; i funct fcx fcy fcz
5 1 300 300 300
24 1 300 300 300
>> WARNING 3 [file md.mdp]:
>> The sum of the two largest charge group radii (13.715767) is
>> larger than
>> rlist (1.000000)
> How big is your box? This may very well be a simple periodicity issue.
I've see this informations from gromacs website. my box is:
6.96418 6.96418 9.77176
in the last line of my input .gro file.
I don't understand, why this warning not appear in 4.6.3, but failed in
thank you very much
More information about the gromacs.org_gmx-users