Re: [gmx-users] Misunderstandings with g_rms

2008-11-07 Thread Mark Abraham
Jochen Hub wrote: DimitryASuplatov wrote: Hello, I am sorry for this stupid question. Lets say I have an index file of all chain A atoms. I want to calculate RMS of chain A _backbone_ only. I run g_rms. It asks two questions: 1/ Select group for least squares fit 2/ Select group for RMSD

[gmx-users] Misunderstandings with g_rms

2008-11-07 Thread DimitryASuplatov
Hello, I am sorry for this stupid question. Lets say I have an index file of all chain A atoms. I want to calculate RMS of chain A _backbone_ only. I run g_rms. It asks two questions: 1/ Select group for least squares fit 2/ Select group for RMSD calculation To the best of my understanding, I

Re: [gmx-users] Misunderstandings with g_rms

2008-11-07 Thread Jochen Hub
DimitryASuplatov wrote: Hello, I am sorry for this stupid question. Lets say I have an index file of all chain A atoms. I want to calculate RMS of chain A _backbone_ only. I run g_rms. It asks two questions: 1/ Select group for least squares fit 2/ Select group for RMSD calculation