Re: [gmx-users] cannot successfully finished the dPCA

2018-02-04 Thread Justin Lemkul
On 2/3/18 1:39 PM, Seera Suryanarayana wrote: Dear gromacs users I done simulations of peptide of 20 residues length for 300ns. As I would like to explore the conformational flexibility I have chosen to do dPCA. I have gone through the tutorial which is present in the gromacs cite. Firstly, I

[gmx-users] cannot successfully finished the dPCA

2018-02-03 Thread Seera Suryanarayana
Dear gromacs users I done simulations of peptide of 20 residues length for 300ns. As I would like to explore the conformational flexibility I have chosen to do dPCA. I have gone through the tutorial which is present in the gromacs cite. Firstly, I have created the index file which shows the