[gmx-users] KALP-15 in DPPC tutorial
Sathya
bti027.2008 at gmail.com
Wed Oct 16 17:29:08 CEST 2013
Hi,
I am new gromacs user. Now I am learning gromacs using KALP-15 in DPPC
tutorial.
Before Equilibration the following command is used.
>>make_ndx -f em.gro -o index.ndx
In the tutorial it has been described to Merge the Protein and DPPC groups
by entering "1 | 13" at the make_ndx prompt.
But I got only the following options.
0 System : 26662 atoms
1 Protein : 138 atoms
2 Protein-H : 109 atoms
3 C-alpha : 16 atoms
4 Backbone : 48 atoms
5 MainChain : 64 atoms
6 MainChain+Cb : 78 atoms
7 MainChain+H : 81 atoms
8 SideChain : 57 atoms
9 SideChain-H : 45 atoms
10 Prot-Masses : 138 atoms
11 non-Protein : 26524 atoms
12 Water : 26520 atoms
13 SOL : 26520 atoms
14 non-Water : 142 atoms
15 Ion : 4 atoms
16 CL : 4 atoms
17 Water_and_ions : 26524 atoms
But i didnt get the option as DPPC in the above.
I have selected non-Protein hence the grompp which follows this step fails..
Please help me .. where is the problem, which option to select and how to
solve this..
Thanks in advance.
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