Re: [gmx-users] different RMSD graphs after using pbc mol

2011-03-03 Thread Mark Abraham
On 4/03/2011 4:53 PM, גדעון לפידות wrote: Hi all, I was wandering if anyone knows of a problem with gromacs 4.0.7 when it comes to its RMSD tool. After running a 44 ns simulations on a soluble protein I used g_rms to calculate RMSD . The results did not seem to make sense ( >30 angstrom at som

[gmx-users] different RMSD graphs after using pbc mol

2011-03-03 Thread גדעון לפידות
Hi all, I was wandering if anyone knows of a problem with gromacs 4.0.7 when it comes to its RMSD tool. After running a 44 ns simulations on a soluble protein I used g_rms to calculate RMSD . The results did not seem to make sense ( >30 angstrom at some time points). After running pbc-mol and cent