Re: [gmx-users] How to get the correct reference frame to run the rmsf?

2017-06-22 Thread Justin Lemkul
On 6/22/17 12:09 PM, ZHANG Cheng wrote: Dear Gromacs, I try to use this command to calculate RMSF: echo 3 | gmx rmsf -s md_0_1.tpr -f md_0_1_noPBC.xtc -o rmsf_20-30ns.xvg -oq bfac.pdb -res -b 2 -e 3 My simulation lasts for 30 ns, but I only want RMSF for the last 10 ns. It is

[gmx-users] How to get the correct reference frame to run the rmsf?

2017-06-22 Thread ZHANG Cheng
Dear Gromacs, I try to use this command to calculate RMSF: echo 3 | gmx rmsf -s md_0_1.tpr -f md_0_1_noPBC.xtc -o rmsf_20-30ns.xvg -oq bfac.pdb -res -b 2 -e 3 My simulation lasts for 30 ns, but I only want RMSF for the last 10 ns. It is mandatory to assign a reference frame, so I use