Re: [gmx-users] Non-zero total charge and Floating Point Arithmetic

2017-02-14 Thread Justin Lemkul
On 2/14/17 3:37 AM, Мижээ Батсайхан wrote: Dear gmx users, I got following note. Please advice me? I checked all topologies in my system, but I could not find floating point. NOTE 1 [file topol.top, line 36]: System has non-zero total charge: -14.97 Total charge should normally be an

[gmx-users] Non-zero total charge and Floating Point Arithmetic

2017-02-14 Thread Мижээ Батсайхан
Dear gmx users, I got following note. Please advice me? I checked all topologies in my system, but I could not find floating point. NOTE 1 [file topol.top, line 36]: System has non-zero total charge: -14.97 Total charge should normally be an integer. See