Re: [gmx-users] Question about the No chi1 & chi2 angle problem with gmx Chi

2017-08-19 Thread Justin Lemkul
On 8/19/17 1:21 PM, Xingcheng Lin wrote: Hi, I am using Gromacs function gmx chi to calculate the X1 and X2 angle based on my pdbs. However, it prompts this warnning: WARNING: not all dihedrals found in topology (only 317 out of 496)! No chi1 & chi2 angle for VAL7 No chi1 & chi2 angle for ALA

[gmx-users] Question about the No chi1 & chi2 angle problem with gmx Chi

2017-08-19 Thread Xingcheng Lin
Hi, I am using Gromacs function gmx chi to calculate the X1 and X2 angle based on my pdbs. However, it prompts this warnning: WARNING: not all dihedrals found in topology (only 317 out of 496)! No chi1 & chi2 angle for VAL7 No chi1 & chi2 angle for ALA13 ... However, the output seems to be compl