[gmx-users] Help for running gromacs
priyankapanwar20 at gmail.com
Mon May 3 13:45:25 CEST 2010
Thanks for help.
-Command line was:
Number of (3-Atomic) solvent molecules:4256
Replacing solvent molecule 499 (atom 2784) with Na
-Group selected was: 12 (SOL)
-Gromacs version I am using is 3.3.1
On Mon, May 3, 2010 at 4:31 PM, Krzysztof Mlynarczyk
<mitomaster at gmail.com>wrote:
> Please post more details including the following:
> - What is the exact command line?
> - What group do you select as a "continuous solvent"? I know it might
> sound weird to ask this but what I learned while teaching students is that
> these questions really should be asked when there are problems.
> - Which version of Gromacs are you using?
> 2010/5/3 priyanka panwar <priyankapanwar20 at gmail.com>
>> I am using Gromacs for Simulation of Insulin.I have generated most of the
>> files but unable to generate the ions.pdb file.The system is becoming idle
>> after the Selection command. A line on the command prompt appears as
>> "replacing solvent molecule with Na" and remains as such for many hours. Is
>> this step really takes too much time or I am doing something wrong.
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