Topic Options
#1921 - 07/06/04 07:37 AM minimization and dynamics
anshul Offline
Forum Member

Registered: 05/20/04
Posts: 20
Loc: Chandigarh, India
Hi all,
I am very new user of CHARMM, In fact I will be submitting my first ever job on CHARMM. I am using c30b1 version of CHARMM.
I have read the manual but things did not become clear about how to use it. I am interested in doing initial minimization and then dynamics of the system. Can anyone show their input file for the same and tell me how to start the run from the input ie what is the command used.
Hoping to get some help.
Thanks in advance.
With regards,
Anshul Awasthi
Bioinformatics Center Institute of Microbial Technology Chandigarh 160036 Mobile +919872220352

#1922 - 07/06/04 10:07 AM Re: minimization and dynamics [Re: anshul]
lennart Online   content

Forum Member

Registered: 09/25/03
Posts: 4760
Loc: ~ 59N, 15E
This very forum contains a number of basic examples of CHARMM usage, see post "Sample scripts for basic tasks in CHARMM" to get an idea of what is available.
Lennart Nilsson
Karolinska Institutet
Stockholm, Sweden


Moderator:  chmgr, John Legato, petrella