[gmx-users] forcefield error for atoms
mah maz
mahmaz71 at gmail.com
Thu Mar 26 10:04:39 CET 2015
Hi Justin,
Thank you! I checked the coordinates and I think there's nothing wrong with
them. The problem might be from the .n2t file. I have some atoms without
any bonds to other atoms in my system. So, in the .n2t file I assign 0 for
bonds to other atoms. And it again stops with the same error while making
the topology file. How can I get rid of this error?
Cheers!
On Tue, Mar 24, 2015 at 9:00 PM, mah maz <mahmaz71 at gmail.com> wrote:
> Hi Justin,
> Thanks for your reply. As you guessed correctly, for making a topology
> file I used "g_x2top -f file.gro -o file.top -ff forcefield -noparam". I
> have a CNT system and I thought I should use g_x2top instead of pdb2gmx
> command. If I'm right, what may cause this error and what would be the
> solution?
> Thanks!
>
> On Mon, Mar 23, 2015 at 12:41 AM, mah maz <mahmaz71 at gmail.com> wrote:
>
>> Dear all,
>> I need to insert some atoms (without any bonds to other atoms) or even
>> ions in my system. I have created the .pdb, and .gro files, but when I
>> try to generate the .top file it stops with the following error: "
>> forcefield not found for atoms with 0 bonds". Is there a way to solve this
>> problem?
>> Thanks!
>>
>
>
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