Re: [gmx-users] Dihedral angle PCA

2013-04-12 Thread Thomas Evangelidis
On 12 April 2013 07:51, anu chandra anu80...@gmail.com wrote: Hi David, Thanks for the reply. I have not tried yet. Since I didn’t find query about the dihedral PCA in the mail list, I thought of confirm about the steps mentioned in the web site. Regarding the use of dihedral PCA, the

Re: [gmx-users] Dihedral angle PCA

2013-04-12 Thread Mark Abraham
On Fri, Apr 12, 2013 at 11:28 AM, Thomas Evangelidis teva...@gmail.comwrote: On 12 April 2013 07:51, anu chandra anu80...@gmail.com wrote: Hi David, Thanks for the reply. I have not tried yet. Since I didn’t find query about the dihedral PCA in the mail list, I thought of confirm about

Re: [gmx-users] Dihedral angle PCA

2013-04-12 Thread Thomas Evangelidis
dPCA is preferred in cases of peptides or intrinsically disordered proteins. And even then a disordered mess can still be a disordered mess... Very true! -- == Thomas Evangelidis PhD student University of Athens

Re: [gmx-users] Dihedral angle PCA

2013-04-12 Thread baptista
On Fri, 12 Apr 2013, Thomas Evangelidis wrote: On 12 April 2013 07:51, anu chandra anu80...@gmail.com wrote: Hi David, Thanks for the reply. I have not tried yet. Since I didn’t find query about the dihedral PCA in the mail list, I thought of confirm about the steps mentioned in the web

Re: [gmx-users] Dihedral angle PCA

2013-04-11 Thread David van der Spoel
On 2013-04-10 08:33, anu chandra wrote: Dear Gromacs users, I would like to do side-chain dihedral angle PCA for my protein. The protein contains 293 residues. I came across an explanation about dihedral PCA in gromcas website ( http://www.gromacs.org/Documentation/How-tos/Dihedral_PCA). Is it

Re: [gmx-users] Dihedral angle PCA

2013-04-11 Thread anu chandra
Hi David, Thanks for the reply. I have not tried yet. Since I didn’t find query about the dihedral PCA in the mail list, I thought of confirm about the steps mentioned in the web site. Regarding the use of dihedral PCA, the protein with which I am working behave differently from others. From

[gmx-users] Dihedral angle PCA

2013-04-10 Thread anu chandra
Dear Gromacs users, I would like to do side-chain dihedral angle PCA for my protein. The protein contains 293 residues. I came across an explanation about dihedral PCA in gromcas website ( http://www.gromacs.org/Documentation/How-tos/Dihedral_PCA). Is it possible to do side-chain dihedral PCA