Note: Forwarded message attached -- Original Message -- From: "sarbani chattopadhyay" <[EMAIL PROTECTED]> To: [EMAIL PROTECTED] Subject: trjconv help
--- Begin Message ---hi, I had run MD simulations where the output control parameters were nstxout=250 nstvout= 1000 nstenergy=100 Due to this the '.trr' file is very large. I want to compress this file so that xyz coordinates are stored every 1000 steps, velocity is stored every 250000 steps and energy every 1000 steps. The timestep is .002ps. I will have to use the 'trjconv' file,but will it be possible to do it in one single command as the frequency of storing the xyz coordinates,velocity and energy are different, I think Compressing the files using 'skip' will not be of much help . Thanks
--- End Message ---
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