Error in gromacs MPI installation.?

Hi everyone, I am installing gromacs(2019) on my desktop. I could successfully install gromacs but when building mpi version it shows the following error. I have applied all the possible ways,...

04 May 2019 6,254 5 View

30-50% of MS Spectrum detected from tissue samples are unmatched with the available protein database?

30-50% of MS spectrums are detected from Tissue or Cell samples are unmatched with the available protein sequence database? Can anyone suggest a methodological flow for this problem. Thanks!

09 October 2018 7,105 3 View

Features extraction from protein 3D structures?

Hi Everyone, I want to extract features from proteins 3D structures. Can anyone suggest a methodology, software or server to carry out this process? Thanks in Advance.

09 October 2018 5,354 0 View

How can we merge different Microarray datasets from GEO for DEGs Analysis?

Hi Everyone, I'm using microarray data to identify DEGs and map its PPI network but now I want to use multiple datasets reported by different studies in Acute Myeloide Leukemia (AML). Please...

02 March 2017 7,564 7 View

Gromacs simulation of Metaloproteins?

Hi everyone, Hope you will be doing well. I'm new in the field of simulation and using Gromacs. , I appreciate your efforts the way you provided step by step tutorials. , I'm simulation a protein...

01 February 2017 3,549 1 View

I'm trying to do a comple simulation in Gromacs but it is showing the following Error, how to solve this?

Residue 97 named ARG of a molecule in the input file was mapped to an entry in the topology database, but the atom CG used in that entry is not found in the input file. Perhaps your atom and/or...

01 February 2017 4,138 1 View

I am having continous problem in ./runn.in file when using Amber 12.?

After completing MD the following error is showing again and again. Anyone please. Error: Could not set up parm file prmtop for reading.Error: Could not open parm prmtop CPPTRAJ: Trajectory...

10 November 2016 7,347 9 View

I am having a problem while using Amber for MD simulation?

05 June 2016 5,593 6 View

Homology modeling of a proteins sequence length 3390 amino acids?

I want to build Homology model of a protein whose sequence length is 3390 amino acids. Please let me know is it possible to build the homology model of such a large protein and if so how far we...

31 December 2015 7,632 7 View

Does RMSD vary with protein sequence length?

RMSD is usually taken as below 2 but if the length of Proteins is too high or large, is it affect RMSD or not? if, then how much it vary from sequence to sequence

11 December 2015 7,798 3 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

Do we need to write protocol for a second study of a systematic review that has been registered and published?

I have conducted and published a systematic review and meta-analysis research with the topic related to public health and health pomotion (protocol was registed in PROSPERO). Now we want to...

03 March 2021 8,920 3 View

How to upload pdf of my articles published?

How to upload pdf of my articles published?

03 March 2021 2,183 3 View