[gmx-users] Pdb file

[Vitaly V. Chaban]

L_BFGS




On Tue, Aug 11, 2015 at 11:37 PM, Sunil Ghimire
<ghimiresunil48 at gmail.com> wrote:
> I created the pdb file by genconf but the system was not minimized, i got
> positive potential energy. What may be the problem?
> On 11 Aug 2015 19:38, "Mark Abraham" <mark.j.abraham at gmail.com> wrote:
>
>> Hi,
>>
>> gmx genconf on a small box with a single argon is a useful starting point.
>>
>> Mark
>>
>> On Tue, Aug 11, 2015 at 3:16 PM Sunil Ghimire <ghimiresunil48 at gmail.com>
>> wrote:
>>
>> > How can  i create the .pdb file for 1600 atoms of argon ?
>> > --
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