Re: [gmx-users] Error in NPT simulation

2018-05-29 Thread Justin Lemkul
On 5/29/18 3:11 PM, Nagasree Garapati wrote: Dear all I am getting following error while running NPT simulation. I did energy minimization and NVT simulations, which ran successfully but when I proceed to NPT simulation, I am getting below error. Step 142, time 0.284 (ps) LINCS WARNING

[gmx-users] Error in NPT simulation

2018-05-29 Thread Nagasree Garapati
Dear all I am getting following error while running NPT simulation. I did energy minimization and NVT simulations, which ran successfully but when I proceed to NPT simulation, I am getting below error. Step 142, time 0.284 (ps) LINCS WARNING relative constraint deviation after LINCS: rms -na