[gmx-users] (no subject)
Fernando Mattio
mattiofer at gmail.com
Fri Oct 7 14:47:07 CEST 2005
Thank you Elena,
I think the topology was updated, but I had problems related to "Memory
access error" when i used the mdrun to perform the simulation... So I was
wondering if it is not enough memory of my computer or if I should have
somehow updated also the parameter file... Please gromacs users any
information about would be great,
Thanks in advance,
Fernando Mattio.
2005/10/7, elena.papaleo <elena.papaleo at unimib.it>:
>
> Dear Fernando,
> I think you can use the command pdb2gmx -f
> minimized_2water.gro -p minimized_2water.top
> to update your topology file...
> best regard
> Elena Papaleo
>
>
> Elena Papaleo, PhD Student
> Department of Biotechnology and Biosciences
> University of Milano-Bicocca
> P.zza della Scienza 2, 20126 Milano (Italy)
>
> email: elena.papaleo at unimib.it
> phone: +39 0264483475
>
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