Your best bet is to install the GitHub version:
https://github.com/Amber-MD/cpptraj
You can also install AmberTools 23, which has an updated version of
cpptraj: https://ambermd.org/GetAmber.php#ambertools
-Dan
On Mon, Jun 26, 2023 at 11:57 PM Jing Qu <jqu2.ncsu.edu> wrote:
>
> Hi,
>
> On one computer the version is V18.01, another one is V5.1.0. Neither one is okay, is it? By the way, how to upgrade the cpptraj?
>
> Thanks,
> Jing
>
> On Mon, Jun 26, 2023 at 8:51 AM Daniel Roe <daniel.r.roe.gmail.com> wrote:
>>
>> Hi,
>>
>> What version of cpptraj are you using? If it's before version 6.18.0
>> you should upgrade - base pair detection has been greatly improved
>> since then (see https://github.com/Amber-MD/cpptraj/pull/1018).
>>
>> -Dan
>>
>> On Mon, Jun 26, 2023 at 12:36 AM Jing Qu via AMBER <amber.ambermd.org> wrote:
>> >
>> > Dear all,
>> >
>> > I'm using CPPTRAJ to analyze simulations of parallel strand DNA and want to
>> > get step parameters via nastruct. Does anyone know how nastruct identify
>> > the molecule as parallel strands? If I write "guessbp bptype para" in the
>> > nastruct command, the program will simply get stuck and look as if it is
>> > not continuing to run at all. If I just write "guessbp", it would seem to
>> > treat the molecule as anti-parallel. What is the correct way to do that?
>> >
>> > Thanks in advance,
>> > Jing
>> > _______________________________________________
>> > AMBER mailing list
>> > AMBER.ambermd.org
>> > http://lists.ambermd.org/mailman/listinfo/amber
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Received on Thu Jun 29 2023 - 06:00:02 PDT
