RE: [gmx-users] x2top error in CNT simulation on Gromacs 3.3.3

, New York 12203, USA >-Original Message- >From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] >On Behalf Of Hero >Sent: Wednesday, April 23, 2008 5:44 PM >To: gmx-users@gromacs.org >Subject: [gmx-users] x2top error in CNT simulation on Gromacs 3.3.3 > >Dear All, &g

[gmx-users] x2top error in CNT simulation on Gromacs 3.3.3

Dear All, I am trying to simulate water flow in CNT and just followed the website: http://cs86.com/CNSE/SWNT.htm I did the following: 1. ffgmx.n2t must change this files name to ffencadv.n2t and add the following 2 lines: C C 1 C ; CNT Carbon with one bond C C 2 C C ; CNT double bonded Carb

Re: [gmx-users] x2top error in CNT simulation

Hero wrote: Dear All, I am trying to simulate water flow in CNT and just followed the website: http://cs86.com/CNSE/SWNT.htm I did the following: 1. ffgmx.n2t must change this files name to ffencadv.n2t and add the following 2 lines: C C 1 C ; CNT Carbon with one bond C C 2 C C ; CNT doub

[gmx-users] x2top error in CNT simulation

Dear All, I am trying to simulate water flow in CNT and just followed the website: http://cs86.com/CNSE/SWNT.htm I did the following: 1. ffgmx.n2t must change this files name to ffencadv.n2t and add the following 2 lines: C C 1 C ; CNT Carbon with one bond C C 2 C C ; CNT double bonded Carb