Jerkwin/gmxtools

Issues

• trr2all: Can't recognize gmx dump with trr2all Tool on Linux Cluster

  #9 opened 6 months ago by unknown-fractal
  2

• 您好，我在使用gmx_ir的过程中遇到了如下问题，请问如何解决？

  #8 opened 10 months ago by MesoAlt
  1

• gmx_ir.bsh:This script is producing NAN results when calculating the infrared spectra of TIP4P water.

  #7 opened 2 years ago by Iam-ZZG
  6

• Illogical results

  #2 opened 2 years ago by meetxinzhang
  24

• gmx_MMPBSA: step3,awk: cmd. line:468: (FILENAME=_pid.pdb FNR=119376) warning: exp: argument 886.554 is out of range

  #5 opened 2 years ago by like996
  10

• Awk error: division by zero attempted

  #6 opened 2 years ago by pallavsen007
  1

• Awk error

  #4 opened 2 years ago by pallavsen007
  9

• Make vmd always at the top

  #3 opened 3 years ago by kexul
  2

• Error: awk: cmd. line:154: (FILENAME=_pid.pdb FNR=115728) fatal: division by zero attempted

  #1 opened 3 years ago by meetxinzhang
  0