[gmx-users] charge from propene?

2009-07-16 Thread Saskia Frenzel
Dear all, I have a problem with a propene molecule: does anybody know what the best charge for the propene atoms is? Thank you for your efforts. Saskia Frenzel -- Jetzt kostenlos herunterladen: Internet Explorer 8 und Mozilla Firefox 3 - sicherer, schneller und einfacher! http://portal.gmx.net

[gmx-users] problem with the creating of a top-file

2009-07-14 Thread Saskia Frenzel
nging to a different molecule than you intended to. In that case move the "settles" section to the right molecule. Can anybody help me? I'm at a loss what I should change still so that it finally works. Thank you for your efforts. Saskia Frenzel -- GRATIS für alle GMX-Mitgliede

[gmx-users] problem with the creating of a top-file

2009-05-12 Thread Saskia Frenzel
different molecule than you intended to. in that case move the "settles" section to the right molecule. Can anybody help me? Thank you for your efforts. Saskia Frenzel -- Neu: GMX FreeDSL Komplettanschluss mit DSL 6.000 Flatrate + Telefonanschluss für nur 17,95 Euro/mtl.!* http://dslsp

[gmx-users] problem with the calculation of a propene molecule

2009-04-23 Thread Saskia Frenzel
for your efforts. Yours sincerely, Saskia Frenzel -- Neu: GMX FreeDSL Komplettanschluss mit DSL 6.000 Flatrate + Telefonanschluss für nur 17,95 Euro/mtl.!* http://dslspecial.gmx.de/freedsl-surfflat/?ac=OM.AD.PD003K11308T4569a -- Pt! Schon vom neuen GMX MultiMessenger gehört? Der kann`s