Re: [gmx-users] Gigantic boxes

2017-06-23 Thread Sergio Manzetti
://www.nanofact.no/ | Nanofactory  ] | [ http://www.aq-lab.no/ | AQ-Lab  ] | [ http://www.phap.no/ | FAP ] From: "Justin Lemkul" <jalem...@vt.edu> To: "gmx-users" <gmx-us...@gromacs.org> Sent: Friday, June 23, 2017 3:49:38 PM Subject: Re: [gmx-users] Gigantic boxes On

Re: [gmx-users] Gigantic boxes

2017-06-23 Thread Justin Lemkul
On 6/23/17 6:20 AM, Sergio Manzetti wrote: Hi, I Have prepared a box, which just grows beyond proportions in order to satisfy grompp complaining about the box being less than the double of rlist, so decrease rlist or increase the box. As rlist has to be 8 for AMBER, the box quickly becomes