[gmx-users] Re: Re: colour of the molecules

Vitaly Chaban chaban at univer.kharkov.ua
Wed Aug 13 22:48:04 CEST 2008

I am afraid you can forget that your simulation is complete.

Make new .top and .gro and start it from the very beginning.

> hhhh huan wrote:
>> Dear all gmx-users and developers,
>>  The simulation has been carried out and I cant recognize the type of molecule since there are 6 different type of mlecules in that system.
>> thanks.
> I know I'm still a bit lost as to what the problem is.  You've conducted a
> simulation, but you don't know what's in the system?  Look in the output .gro
> file for molecule names.  The .top file will have atom types and such.
> If this is a visualization problem, have you tried what I suggested to you earlier?
> http://www.gromacs.org/pipermail/gmx-users/2008-August/035723.html

Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svoboda sq., 4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban

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