[gmx-users] how to add parameters to Topolbuild

Can someone help us about how to add misssing parameters into Topolbuild? We are using topolbuild to build *top file for a molecular which has amide group. Topolbuld reports missing parameters of bonding, angle and dihedral. missing bond parameters of (C-N); 11 13 ; N

Re: [gmx-users] error on running job in parallel

Hi, It's not a GROMACS error, so you'll have to solve that one yourself. Leading suspect is that the above example does not work with that mpirun, because mpirun is trying to interpret "-s" (and giving an error) rather than passing the argument to mdrun. See the mpirun docs and talk more to the ad

[gmx-users] error on running job in parallel

Dear gromacs users, Hello, here in our university the gromacs is installed parallel and now we are going to submit our simulation projects.   To do a protein simulation, we are in the step to submit nvt and npt runs. this is the job,sh file which we use to submit our jobs: below you can see the