Re: [gmx-users] position restraint and pdb

Tsjerk Wassenaar wrote: Hi, Yes. You can use GROMACS to simulate traffic if you want to. :-) Mark, do you have a force field for that? Nah, parameterization against experimental data is really expensive. Mark ___ gmx-users mailing listgmx-use

Re: [gmx-users] position restraint and pdb

Hi, > Yes. You can use GROMACS to simulate traffic if you want to. :-) Mark, do you have a force field for that? >> As i had done it with 4 residue with blocking group. But then i got the >> error for rvdw and rlist as they should be nearer to cutoff value. >> So instead of decreasing the value

Re: [gmx-users] position restraint and pdb

Bhawana Gupta wrote: hello everyone, pls tell me that whether we can use gromacs for simulating pdb with 3 or 4 residue. Yes. You can use GROMACS to simulate traffic if you want to. :-) As i had done it with 4 residue with blocking group. But then i got the error for rvdw and rlist as they

[gmx-users] position restraint and pdb

hello everyone, pls tell me that whether we can use gromacs for simulating pdb with 3 or 4 residue. As i had done it with 4 residue with blocking group. But then i got the error for rvdw and rlist as they should be nearer to cutoff value. So instead of decreasing the value of rvdw. i increased my