[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
Lakshmi
lpgoldi11 at gmail.com
Thu Mar 27 07:37:26 CET 2014
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
--
View this message in context: http://gromacs.5086.x6.nabble.com/Warning-pressure-scaling-more-than-1-mu-58-1548-58-1548-58-1548-Received-the-TERM-signal-stopping-atp-tp5015412.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
More information about the gromacs.org_gmx-users
mailing list