Re: [gmx-users] problem with gmx genconf?

2016-10-09 Thread Justin Lemkul
On 10/9/16 9:22 PM, Thejus Kartha wrote: Well, the literature reports a non-zero dipole moment and hence, a polarity index of 4.8 for 1,4-dioxane. So does the organic chemist nearby. I'm not sure if I understand your perspective, Dr. Lemkul. I'm clearly missing something here. It's a symm

Re: [gmx-users] problem with gmx genconf?

2016-10-09 Thread Thejus Kartha
Well, the literature reports a non-zero dipole moment and hence, a polarity index of 4.8 for 1,4-dioxane. So does the organic chemist nearby. I'm not sure if I understand your perspective, Dr. Lemkul. I'm clearly missing something here. I should also mention that I have run simulations of etha

Re: [gmx-users] problem with gmx genconf?

2016-10-09 Thread Justin Lemkul
On 10/9/16 8:26 PM, Thejus Kartha wrote: I'm sorry Dr. Lemkul. I thought I put the links for the images I uploaded on Google Drive. Let me try it again. The single molecule: https://drive.google.com/open?id=0B3dugKVFN2ajTmZMYVdOX0NfbGM The system that was generated by genconf:https://drive.go

Re: [gmx-users] problem with gmx genconf?

2016-10-09 Thread Thejus Kartha
I'm sorry Dr. Lemkul. I thought I put the links for the images I uploaded on Google Drive. Let me try it again. The single molecule: https://drive.google.com/open?id=0B3dugKVFN2ajTmZMYVdOX0NfbGM The system that was generated by genconf:https://drive.google.com/open?id=0B3dugKVFN2ajSDdiampwREVoeUU

Re: [gmx-users] problem with gmx genconf?

2016-10-09 Thread Justin Lemkul
None of your screenshots work; most users receive mail in plain text. If you want to share files or images, upload them somewhere and provide a link. [ atoms ] ; nr type resnr residue atom cgnr charge mass typeB chargeB massB ; residue 903 DOX rtp DOX q -0.