[gmx-users] Warning: pressure scaling more than 1%, mu: 58.1548 58.1548 58.1548 Received the TERM signal, stopping at the next NS step

[Mark Abraham]

Your starting configuration has positions that cause aims to overlap,
causing huge LJ energies. Fix that.

Mark
On Mar 27, 2014 7:43 AM, "Lakshmi" <lpgoldi11 at gmail.com> wrote:

> Respected Sir,
>                    I am working with gromacs and i have got a warning as
> shown below.Can you please suggest me what to do, to run my file
> completely.Please reply as soon as possible.Awaiting your suggestions.
>
>
>            Step           Time         Lambda
>               0        0.00000        0.00000
>
>    Energies (kJ/mol)
>        G96Angle    Proper Dih.  Improper Dih.          LJ-14     Coulomb-14
>     1.03693e+03    9.37838e+02    1.75330e+02    1.49262e+03    1.26876e+04
>         LJ (SR)        LJ (LR)   Coulomb (SR)   Coulomb (LR)       RF excl.
>     4.90866e+06   -4.76268e+03   -1.13536e+06    6.29348e+03   -9.65761e+03
>       Potential    Kinetic En.   Total Energy    Temperature Pressure (bar)
>     3.78150e+06    2.48247e+10    2.48284e+10    4.18046e+07    3.81032e+08
>    Constr. rmsd
>     3.57946e+01
>
>
> Step 1  Warning: pressure scaling more than 1%, mu: 58.1548 58.1548 58.1548
>
>
> Received the TERM signal, stopping at the next NS step
>
>
>
>
>
>
>
>
> --
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