[gmx-users] regarding do_dssp

Justin Lemkul jalemkul at vt.edu
Fri Nov 21 13:31:12 CET 2014

On 11/21/14 1:38 AM, RINU KHATTRI wrote:
> one more question regarding concatenate tpr file
> in the old mails justin told there is no need to concatenate tpr file
> but for rmsf and rmsd calculation i have to use xtc and tpr file ..xtc
> can be concatenate by trjcat but tpr ?

There is absolutely no need to ever try to concatenate a .tpr file.  It's a set 
of instructions and a set of coordinates; its contents are not dynamic.


> kindly help
> On Fri, Nov 21, 2014 at 11:25 AM, RINU KHATTRI <nickname.mittu at gmail.com> wrote:
>> hello gromacs users
>> i am working on complex with popc membrane i am trying to run do_dssp
>> command but i got  the  error then i am trying to install dssp package
>>   by
>>   sudo wget ftp://ftp.cmbi.ru.nl/pub/software/dssp/dssp-2.0.4-linux-amd64
>> -O /usr/local/bin/dssp
>> --2014-11-21 11:17:57--
>> ftp://ftp.cmbi.ru.nl/pub/software/dssp/dssp-2.0.4-linux-amd64
>>             => `/usr/local/bin/dssp'
>> Resolving ftp.cmbi.ru.nl (ftp.cmbi.ru.nl)... failed: Name or service not known.
>> wget: unable to resolve host address `ftp.cmbi.ru.nl'
>> still i am getting the error( ftp.cmbi.ru.nl)... failed: Name or service no
>> how to install manually
>> thanks in advance


Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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