Re: [gmx-users] Problems with Ionic Liquid Simulations

2018-04-04 Thread Justin Lemkul
On 4/3/18 6:24 PM, Joshua Cummings wrote: Hi All, I am currently trying to run a simulation on the ionic liquid 1-butyl-3-methyl-imidazolium hexafluorophosphate ([Bmim][PF6]), but have run into a few errors I am unable to solve. I've used the following steps in my simulation so far: a)

[gmx-users] Problems with Ionic Liquid Simulations

2018-04-03 Thread Joshua Cummings
Hi All, I am currently trying to run a simulation on the ionic liquid 1-butyl-3-methyl-imidazolium hexafluorophosphate ([Bmim][PF6]), but have run into a few errors I am unable to solve. I've used the following steps in my simulation so far: a) Generated the required .pdb files for both the