[gmx-users] Proper 1-octanol box preparation

rotocol or some setting (higher pressure at the beginning of equilibration?), any trick suitable for this type of solvent? Till now I worked only with water and surfaces, so this is new area for me... Thank you very much for any answer and have a nice day! Ondrej Kroutil (Faculty of Health

[gmx-users] GPU + surface

.photobucket.com/albums/t587/Andrew_Twister/gpu-no_freeze_zps72ef3938.png). It look as electrostatics problem. Do you have any hints, please? And sorry if I missed similar topic in mailing list, but I couldn't find anything similar. Ondrej Kroutil integrator =