Please help me to section and merge of group, i am new user and little confused which number i have to choose? Our Bi-layer model comprises of POPG/POPE. (Generted from Membrane builed)
Version- gmx make_ndx, 2021.2 Command used- gmx make_ndx -f em.gro -o index.ndx
- 0 System : 42590 atoms
- 1 Protein : 544 atoms
- 2 Protein-H : 250 atoms
- 3 C-alpha : 34 atoms
- 4 Backbone : 102 atoms
- 5 MainChain : 134 atoms
- 6 MainChain+Cb : 164 atoms
- 7 MainChain+H : 166 atoms
- 8 SideChain : 378 atoms
- 9 SideChain-H : 116 atoms
- 10 Prot-Masses : 544 atoms
- 11 non-Protein : 42046 atoms
- 12 Other : 42046 atoms
- 13 DOPG : 3668 atoms
- 14 POPE : 17500 atoms
- 15 POT : 41 atoms
- 16 CLA : 17 atoms
- 17 TIP3 : 20820 atoms
I was selected 1|13|14 and index was genrated. When I ran this command (gmx grompp -f NVT.mdp -c em.gro -p topol.top -n index.ndx -o nvt.tpr ) I got this error.
ERROR 1…
ERROR 125 [file PROA.itp, line 2687]: No default Position Rest. types
ERROR 126 [file DOPG.itp, line 1229]: Incorrect number of parameters - found 2, expected 3 or 6 for Position Rest. (after the function type).
There were 2 notes
Program: gmx grompp, version 2021.2 Source file: src/gromacs/gmxpreprocess/toppush.cpp (line 2104)
Fatal error: There were 126 errors in input file(s)
Please help me to fix this problem. Thank you!
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