Re: [gmx-users] ERROR 1 [file lig.prm, line 49] - Can I use the the mdp files -> em.mdp followed by em_real.mdp used for Gromacs 5.1.4?

2020-03-09 Thread Justin Lemkul
On 3/9/20 7:10 AM, Adarsh V. K. wrote: Dear all, How to solve this error ? gmx grompp -f ions.mdp -c solv.gro -p topol.top -o ions.tpr -maxwarn 1 The command returns following errors while suing ions.mdp - NOTE 1 [file ions.mdp] ERROR 1

Re: [gmx-users] ERROR 1 [file lig.prm, line 49] - Can I use the the mdp files -> em.mdp followed by em_real.mdp used for Gromacs 5.1.4?

2020-03-09 Thread Sotirios Dionysios I. Papadatos
In most cases this means that the exact same line is given more than once. I would start from there. From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se on behalf of Adarsh V. K. Sent: Monday, March 9, 2020 1:26 PM To:

[gmx-users] ERROR 1 [file lig.prm, line 49] - Can I use the the mdp files -> em.mdp followed by em_real.mdp used for Gromacs 5.1.4?

2020-03-08 Thread Adarsh V. K.
Dear all, How to solve this error ? gmx grompp -f ions.mdp -c solv.gro -p topol.top -o ions.tpr -maxwarn 1 The command returns following errors while using " ions.mdp " - NOTE 1 [file ions.mdp] ERROR 1 [file lig.prm, line 49]: Encountered a

[gmx-users] ERROR 1 [file lig.prm, line 49] - Can I use the the mdp files -> em.mdp followed by em_real.mdp used for Gromacs 5.1.4?

2020-03-08 Thread Adarsh V. K.
Dear all, How to solve this error ? gmx grompp -f ions.mdp -c solv.gro -p topol.top -o ions.tpr -maxwarn 1 The command returns following errors while suing ions.mdp - NOTE 1 [file ions.mdp] ERROR 1 [file lig.prm, line 49]: Encountered a