[gmx-users] RE: Tcl script

[Vitaly Chaban]

> I just now started with TCL scripting.And it will be helpful if  someone
> tell me how to write a TCL script for the following queries.?


> 2. what is the total charge of the protein?

Yeah, Tcl is a good way to write scripts for gromacs but it is really
not a part of the package. :)

As for the protein, just look at your topology. Probably you will not even
need a script...


===============================
Vitaly V. Chaban, Ph.D.(ABD)
School of Chemistry
V.N. Karazin Kharkiv National University
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua,vvchaban at gmail.com
skype: vvchaban, mob.: +38-097-8259698