Messages

1

MD simulations / Re: overwritten output files

« on: January 13, 2025, 10:00:17 am »

Hi Xian- Jung,
thanks for your quick response.
I use the simple script of 3dna -
 for i in $(seq 1 3700); do
    find_pair output-filename.pdb.${i} frame${i}.bps
    analyze frame${i}.bps
done

Thanks
Mamta

2

MD simulations / overwritten output files

« on: January 13, 2025, 04:52:30 am »

Dear all,
I am analyzing the helical parameters of DNA using 3700 frames from my MD simulation, with each frame having a corresponding `.bps` file. When using a `for` loop with the `analyze` command, the output is being overwritten instead of being saved in separate files for each frame.I am using x3dna-v2.4 version. Is it possible to configure the program so that it records the data for all frames without overwriting the output?                                                                                                              Thanks for your help!
Mamta