Re: [gmx-users] simulation explode while switching from NVT to NPT

2013-09-06 Thread Justin Lemkul
On 9/6/13 12:48 PM, Golshan Hejazi wrote: Dear Rafael, Thanks for your reply. Yes, I did follow the link. This means that the system is not equilibrated well. I tried to perform some more minimization but it seems that steepest decent have already minimized it well. Therefore I decided to pe

Re: [gmx-users] simulation explode while switching from NVT to NPT

2013-09-06 Thread Golshan Hejazi
: Thursday, September 5, 2013 12:19 AM Subject: Re: [gmx-users] simulation explode while switching from NVT to NPT Did you follow the link in the error message? On Wed, Sep 4, 2013 at 7:17 PM, Golshan Hejazi wrote: Hi everyone, > >I am simulating a system of paracetamol crystal in e

Re: [gmx-users] simulation explode while switching from NVT to NPT

2013-09-04 Thread Rafael I. Silverman y de la Vega
Did you follow the link in the error message? On Wed, Sep 4, 2013 at 7:17 PM, Golshan Hejazi wrote: > Hi everyone, > > I am simulating a system of paracetamol crystal in ethanol solvent. I used > pdb2gmx to generate the topology and gro file and I minimized the system > using steepest decent. As