[gmx-users] How to freeze the atoms at some specific area

David spoel at xray.bmc.uu.se
Wed Jun 25 08:47:00 CEST 2003

On Mon, 2003-06-23 at 05:16, Jia-Lin Lo wrote:
> Dear gmx users;
>      If I need to freeze the atoms at some 
> specific areas. How should I write down the 
> atom number for this group. I have tried  make_ndx and I think it can
> just recognize 
> the names of the atoms and residues. But it 
> cannot tell me the atom number at some areas.

index files is just
atom numbers

so if you cannot do it with make_ndx you have to do it manually or with
a program/script. Might be worthwhile checking out trjorder though
>     Any help or suggestions will be appriciated.
> Thanks in advance.
> Jia-lin
> ==============================================================
> Jia-lin LO
> Dept. of Physics ,National Central University,
> Chung Li , Taiwan,
> e-mail : jllo at phy.ncu.edu.tw  Home page:
> http://pooh.phy.ncu.edu.tw/~jllo/
> ==============================================================
Groeten, David.
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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