Re: [gmx-users] gmx conver-tpr error

2018-05-30 Thread Amali Guruge
Dear Dr. Justin, Thank you very much for the reply. I'm sure, I used -extend for the gmx convert-tpr. How can I solve this problem? Appreciate, if you could help me. Thank you. On Wed, May 30, 2018 at 9:51 PM, Justin Lemkul wrote: > > > On 5/30/18 5:51 AM, Amali Guruge wrote: > >> Dear

Re: [gmx-users] gmx conver-tpr error

2018-05-30 Thread Justin Lemkul
On 5/30/18 5:51 AM, Amali Guruge wrote: Dear Gromacs users, I did a simulation for a 50 ns and I want to extend it by anther 50 ns. Therefore, I used the command, gmx convert-tpr -s run01.tpr -extend 5 -o run02.tpr But I got the error, 'You've simulated long enough. Not writing tpr

Re: [gmx-users] gmx conver-tpr error

2018-05-30 Thread Soham Sarkar
tpbconv -s md.tpr -o md_new.tpr -extend 5 On Wed, 30 May 2018, 3:22 pm Amali Guruge, wrote: > Dear Gromacs users, > > I did a simulation for a 50 ns and I want to extend it by anther 50 ns. > Therefore, I used the command, > gmx convert-tpr -s run01.tpr -extend 5 -o run02.tpr > But I

[gmx-users] gmx conver-tpr error

2018-05-30 Thread Amali Guruge
Dear Gromacs users, I did a simulation for a 50 ns and I want to extend it by anther 50 ns. Therefore, I used the command, gmx convert-tpr -s run01.tpr -extend 5 -o run02.tpr But I got the error, 'You've simulated long enough. Not writing tpr file.' How can I solve the problem? Thank you.