Re: [gmx-users] Re: MD run for octanol system

2010-07-14 Thread vivek sharma
Hi Esteban and Vitaly, Thanks for your respose, I tried "trjconv" with -pbc mol while generating movie and it worked this time. regards, vivek On 12 July 2010 16:01, Vitaly Chaban wrote: > Hmm... Straight lines... Is it VMD that your used to visualize the > trajectory? > > I think this is just

[gmx-users] Re: MD run for octanol system

2010-07-12 Thread Vitaly Chaban
Hmm... Straight lines... Is it VMD that your used to visualize the trajectory? I think this is just due to PBC. Compute some RDFs and they will give you an answer if your system is healthy. Dr. Vitaly Chaban > I am trying to run MD simulation for octanol using GROMACS, I have > downloaded the